UCSF

ZINC20272877

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 11 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) -0.65 -0.98 -10.67 4 4 0 82 151.169 1
Mid Mid (pH 6-8) -0.65 -0.57 -32.72 5 4 1 83 152.177 1

Activity (Go SEA)

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