UCSF

ZINC43434874

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 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) 3.02 5.61 -4.74 1 4 0 48 245.363 11
Mid Mid (pH 6-8) 3.02 6.62 -33 2 4 1 52 246.371 11

Activity (Go SEA)

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