UCSF

ZINC19834291

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 15 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) 1.24 5.11 -111.54 5 3 2 56 211.284 5
Mid Mid (pH 6-8) -1.67 5.06 -34.05 5 3 1 56 210.276 5

Activity (Go SEA)

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