UCSF

ZINC39278605

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 11 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 6.25 -35.23 1 2 1 22 156.249 3
Hi High (pH 8-9.5) 1.30 4.08 -5.71 0 2 0 20 155.241 3

Activity (Go SEA)

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