UCSF

ZINC28088879

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 13 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) 1.30 0.43 -44.06 4 3 1 57 182.243 3
Hi High (pH 8-9.5) 1.30 1.21 -56.47 3 3 0 60 181.235 3

Activity (Go SEA)

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