UCSF

ZINC01071997

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 29 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) 2.95 11.92 -20.9 1 7 0 86 422.539 7
Hi High (pH 8-9.5) 3.14 10.71 -52.85 0 7 -1 92 421.531 7

Activity (Go SEA)

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