UCSF

ZINC40494664

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 12 No

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) 1.62 6.34 -39.94 1 2 1 22 170.276 2
Hi High (pH 8-9.5) 1.62 4.68 -3.98 0 2 0 20 169.268 2

Activity (Go SEA)

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