UCSF

ZINC52444932

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 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) 2.70 8.86 -85.23 3 2 2 21 234.387 5
Hi High (pH 8-9.5) 2.70 7.42 -33.59 2 2 1 16 233.379 5
Hi High (pH 8-9.5) 2.70 6.61 -37.89 2 2 1 20 233.379 5

Activity (Go SEA)

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