UCSF

ZINC09371090

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 30 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) 5.68 1.54 -11.67 0 4 0 73 432.618 6
Lo Low (pH 4.5-6) 5.68 1.65 -39.65 1 4 1 74 433.626 6
Lo Low (pH 4.5-6) 5.68 1.77 -83.93 2 4 2 75 434.634 6

Activity (Go SEA)

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