UCSF

ZINC40911093

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 19 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) -0.30 4.04 -36.02 1 9 -1 137 265.205 4
Lo Low (pH 4.5-6) -0.30 2.2 -14.61 2 9 0 134 266.213 4

Activity (Go SEA)

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