UCSF

ZINC08769885

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 25 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) 1.78 3.24 -20.15 2 7 0 85 342.399 7
Ref Reference (pH 7) 1.96 5.89 -18.25 2 7 0 82 342.399 7

Activity (Go SEA)

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