UCSF

ZINC36754758

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 1.55 2.47 -45.36 4 4 1 60 286.758 3
Lo Low (pH 4.5-6) 1.55 4.67 -112.04 5 4 2 61 287.766 3

Activity (Go SEA)

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