UCSF

ZINC34823163

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 21 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) 3.49 9.56 -44.9 2 3 1 33 284.427 4
Mid Mid (pH 6-8) 3.49 10.01 -93.05 3 3 2 34 285.435 4

Activity (Go SEA)

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