UCSF

ZINC49171166

Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2010 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) 3.64 10.8 -40.48 1 3 1 22 284.427 2
Lo Low (pH 4.5-6) 3.64 11.3 -95.68 2 3 2 24 285.435 2

Activity (Go SEA)

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