UCSF

ZINC34368976

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2009 37 No

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) -0.07 15.16 -81.11 2 9 -1 138 515.627 12
Hi High (pH 8-9.5) -0.07 13.84 -123.96 1 9 -2 137 514.619 12

Activity (Go SEA)

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