UCSF

ZINC44676141

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 7.92 -106.72 4 2 2 33 234.387 7
Hi High (pH 8-9.5) 2.53 6.64 -36.51 3 2 1 29 233.379 7
Hi High (pH 8-9.5) 2.53 6.7 -39.58 3 2 1 29 233.379 7

Activity (Go SEA)

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