UCSF

ZINC34823639

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) 3.68 10.52 -42.35 2 3 1 33 284.427 7
Mid Mid (pH 6-8) 3.68 10.98 -92.14 3 3 2 34 285.435 7

Activity (Go SEA)

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