UCSF

ZINC19900226

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) 0.91 1.09 -64.96 3 5 1 80 286.373 4
Hi High (pH 8-9.5) 0.91 1.89 -85.16 2 5 0 83 285.365 4

Activity (Go SEA)

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