UCSF

ZINC45206092

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 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) 0.26 3.91 -38.99 2 3 1 42 164.232 3
Hi High (pH 8-9.5) 0.26 2.62 -5.98 1 3 0 38 163.224 3

Activity (Go SEA)

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