UCSF

ZINC70616944

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2011 14 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) 0.18 1.63 -46.81 3 4 1 55 199.274 5
Hi High (pH 8-9.5) 0.18 0.27 -8.65 2 4 0 50 198.266 5

Activity (Go SEA)

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