UCSF

ZINC22563998

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2008 18 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) -0.81 1.07 -54.24 3 5 1 59 251.306 3
Hi High (pH 8-9.5) -0.81 0.79 -5.96 2 5 0 57 250.298 3
Lo Low (pH 4.5-6) -0.81 3.05 -145.73 4 5 2 60 252.314 3

Activity (Go SEA)

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