UCSF

ZINC39081830

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 12 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) 0.87 3.7 -23.99 2 3 1 29 164.232 0
Hi High (pH 8-9.5) 0.87 3.3 -6.67 1 3 0 28 163.224 0

Activity (Go SEA)

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