UCSF

ZINC12463619

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 22 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) 3.21 5.83 -17.38 2 5 0 74 358.195 3
Ref Reference (pH 7) 3.21 5.95 -12.98 2 5 0 74 358.195 3
Hi High (pH 8-9.5) 3.67 3.93 -51.62 1 5 -1 77 357.187 3
Hi High (pH 8-9.5) 3.67 4.2 -40.84 1 5 -1 77 357.187 3

Activity (Go SEA)

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