UCSF

ZINC19432766

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 16 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) -0.24 3.58 -20.28 0 5 0 60 236.3 2
Lo Low (pH 4.5-6) -0.24 3.95 -47.96 1 5 1 61 237.308 2

Activity (Go SEA)

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