UCSF

ZINC43253185

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 3.86 6.49 -46.24 3 2 1 31 330.304 5
Hi High (pH 8-9.5) 3.86 8.21 -35.39 3 2 1 30 330.304 5
Hi High (pH 8-9.5) 3.86 6.3 -3.5 2 2 0 29 329.296 5

Activity (Go SEA)

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