UCSF

ZINC43388070

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 3.94 7.8 -41.97 2 1 1 17 228.306 5
Hi High (pH 8-9.5) 3.94 7.07 -1.44 1 1 0 12 227.298 5

Activity (Go SEA)

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