UCSF

ZINC19688033

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) -0.45 1.3 -48.9 3 4 1 51 212.317 5
Mid Mid (pH 6-8) -0.45 3.62 -95.91 4 4 2 52 213.325 5

Activity (Go SEA)

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