UCSF

ZINC36161866

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 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) -1.33 0.02 -13.89 3 7 0 109 270.314 2
Lo Low (pH 4.5-6) -1.33 0.49 -51.15 4 7 1 110 271.322 2

Activity (Go SEA)

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