UCSF

ZINC43977250

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 4.12 6.38 -30.46 2 3 1 29 285.496 10
Hi High (pH 8-9.5) 4.12 4.77 -1.18 1 3 0 24 284.488 10
Hi High (pH 8-9.5) 4.12 8.49 -24.05 2 3 1 26 285.496 10

Activity (Go SEA)

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