UCSF

ZINC42287605

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2010 18 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) 2.42 7.06 -49.63 2 4 1 57 246.334 6
Mid Mid (pH 6-8) 2.42 5.6 -11.16 1 4 0 56 245.326 6

Activity (Go SEA)

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