UCSF

ZINC00245253

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Other Names:

MFCD01328168

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) 2.63 -4.22 -8.53 1 3 0 46 311.144 3
Hi High (pH 8-9.5) 2.63 -3.64 -34.47 0 3 -1 48 310.136 3

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0495594A1; EP0495594B1; US4943591; US5006556; US5236948; US5258399 IBM Patent Data

Activity (Go SEA)

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