UCSF

ZINC43403129

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 0.96 1.95 -48.54 3 6 1 93 260.339 7
Hi High (pH 8-9.5) 0.96 1.7 -12.92 2 6 0 91 259.331 7

Activity (Go SEA)

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