UCSF

ZINC34676304

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2009 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) 0.43 5.04 -18.59 1 9 0 91 442.495 5
Mid Mid (pH 6-8) 0.43 7.39 -55.55 2 9 1 92 443.503 5

Activity (Go SEA)

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