UCSF

ZINC42952186

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 20 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) 2.71 7.07 -101.61 4 3 2 35 342.325 5
Mid Mid (pH 6-8) 2.71 3.99 -46.45 3 3 1 34 341.317 5

Activity (Go SEA)

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