UCSF

ZINC20537171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2008 19 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) 2.44 6.47 -32.35 2 3 1 28 265.421 7
Mid Mid (pH 6-8) 2.44 7.74 -106.63 3 3 2 29 266.429 7

Activity (Go SEA)

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