UCSF

ZINC47889296

Substance Information

In ZINC since Heavy atoms Benign functionality
September 8th, 2010 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) 1.55 5.18 -44.76 3 3 1 46 221.324 6
Hi High (pH 8-9.5) 1.55 3.83 -7.62 2 3 0 41 220.316 6

Activity (Go SEA)

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