UCSF

ZINC44609976

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) 0.95 5.94 -92.5 3 3 2 34 229.393 7
Mid Mid (pH 6-8) 0.95 3.57 -40.17 2 3 1 33 228.385 7

Activity (Go SEA)

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