UCSF

ZINC45651288

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 1.34 3.8 -30.87 2 3 1 20 226.388 3
Hi High (pH 8-9.5) 1.34 4.81 -107.96 3 3 2 24 227.396 3
Hi High (pH 8-9.5) 1.34 3.85 -33.37 2 3 1 20 226.388 3
Mid Mid (pH 6-8) 1.34 6.21 -77.09 3 3 2 21 227.396 3

Activity (Go SEA)

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