UCSF

ZINC37215136

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 19 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) -0.20 2.96 -40.15 2 5 1 49 270.397 5
Hi High (pH 8-9.5) -0.20 1.78 -9.71 1 5 0 45 269.389 5
Lo Low (pH 4.5-6) -0.20 5.17 -104.48 3 5 2 51 271.405 5

Activity (Go SEA)

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