UCSF

ZINC39270986

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 8 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) 1.93 3.73 -1.67 0 1 0 9 114.188 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0069068A1; EP0069070A1; EP0093696A2; EP0098241A1; EP0106799A1; US4430425; US4484000; US4549015; US4608435; US4616082; US4631252; US4835323; US4904815; US5059515; US5202458 IBM Patent Data
PUBCHEM_PATENT_ID EP0070370A1; EP0071707A1; EP0136702A2; US4422864; US4761172 IBM Patent Data

Activity (Go SEA)

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