UCSF

ZINC34820752

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2009 16 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) 3.46 7.39 -35.96 2 2 1 26 220.336 4
Hi High (pH 8-9.5) 3.46 6.17 -2.88 1 2 0 21 219.328 4

Activity (Go SEA)

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