UCSF

ZINC40694253

Substance Information

In ZINC since Heavy atoms Benign functionality
April 11th, 2010 17 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) 1.49 6.61 -36.17 1 3 1 25 239.383 4
Lo Low (pH 4.5-6) 1.49 8.85 -104.73 2 3 2 26 240.391 4

Activity (Go SEA)

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