UCSF

ZINC44676145

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 2.53 8.23 -101.45 4 2 2 33 234.387 7
Hi High (pH 8-9.5) 2.53 7.01 -35.5 3 2 1 29 233.379 7
Hi High (pH 8-9.5) 2.53 7.09 -36.1 3 2 1 29 233.379 7

Activity (Go SEA)

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