UCSF

ZINC42338143

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 14 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) 0.96 5.55 -36.04 1 4 1 40 202.274 6
Mid Mid (pH 6-8) 0.96 3.24 -7.75 0 4 0 39 201.266 6

Activity (Go SEA)

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