UCSF

ZINC19672437

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) -0.61 -1.05 -56.81 5 5 1 91 214.289 2
Mid Mid (pH 6-8) -0.61 -1.32 -14.68 4 5 0 89 213.281 2

Activity (Go SEA)

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