UCSF

ZINC44117195

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 2.66 3.79 -5.87 1 4 0 42 293.407 6
Mid Mid (pH 6-8) 2.66 6.14 -40.49 2 4 1 43 294.415 6

Activity (Go SEA)

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