UCSF

ZINC42296083

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) 0.93 5.74 -33.35 1 4 1 40 202.274 8
Mid Mid (pH 6-8) 0.93 3.67 -7.63 0 4 0 39 201.266 8

Activity (Go SEA)

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