UCSF

ZINC01956931

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 32 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) 7.11 13.69 -11.36 1 5 0 65 478.054 7
Hi High (pH 8-9.5) 7.30 11.83 -44.99 0 5 -1 71 477.046 7

Activity (Go SEA)

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