UCSF

ZINC37866362

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2009 22 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) 1.67 6.33 -14 0 5 0 63 292.294 1
Lo Low (pH 4.5-6) 1.67 7.25 -37.97 1 5 1 65 293.302 1

Activity (Go SEA)

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