UCSF

ZINC34545802

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 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) 1.76 4.68 -16.25 1 3 0 57 176.219 3
Hi High (pH 8-9.5) 2.21 2.86 -45.57 0 3 -1 60 175.211 3

Activity (Go SEA)

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