UCSF

ZINC19688568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2008 16 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) -0.38 -0.71 -57.7 3 5 1 68 250.388 5
Mid Mid (pH 6-8) -0.38 1.23 -111.48 4 5 2 69 251.396 5

Activity (Go SEA)

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