UCSF

ZINC44808847

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 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) 1.41 6.5 -44.37 2 4 1 57 246.334 6
Mid Mid (pH 6-8) 1.59 4.42 -34.99 1 4 0 64 245.326 6

Activity (Go SEA)

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