UCSF

ZINC66578166

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2011 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) 1.36 -0.55 -47.02 2 6 -1 108 305.401 5
Lo Low (pH 4.5-6) 1.36 -0.59 -15.06 3 6 0 106 306.409 5

Activity (Go SEA)

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