UCSF

ZINC26257246

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 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) 3.28 4.13 -12.2 2 3 0 53 291.35 4
Lo Low (pH 4.5-6) 3.28 4.57 -45.38 3 3 1 55 292.358 4

Activity (Go SEA)

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