UCSF

ZINC00001063

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.07 -4.57 -10.39 3 7 0 105 307.1 2
Hi High (pH 8-9.5) -0.61 -7.28 -47.07 2 7 -1 108 306.092 2

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0045944A1; EP0048022A2; EP0068763A2; EP0068763B2; EP0097373A2; EP0097373B1; EP0175286A2; EP0175286B1; EP0215942A1; EP0215942B1; EP0216860A1; EP0216860B1; EP0238672A1; EP0251534A1; EP0251534B1; EP0285057A2; EP0285058A2; EP0285950A2; EP0286898A2; EP028689 IBM Patent Data
PUBCHEM_PATENT_ID EP0083286A2; EP0083286B2; EP0102228A2; EP0118107A2; EP0118107B1; EP0133473A2; EP0133473B1; EP0196185A2; EP0198328A2; EP0198328B1; EP0199451A2; EP0216564A2; EP0236145A1; EP0236145B2; EP0239405A2; EP0256092B1; EP0276287A1; EP0276287B1; EP0291633A1; EP029163 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )