UCSF

ZINC02586218

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 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) -0.06 2.33 -38.46 4 4 0 88 250.081 3
Mid Mid (pH 6-8) -0.06 3.08 -62.15 3 4 -1 91 249.073 3

Activity (Go SEA)

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