UCSF

ZINC43396208

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 2.04 2.8 -45.83 3 4 1 59 245.302 4
Mid Mid (pH 6-8) 2.04 2.4 -6.96 2 4 0 57 244.294 4

Activity (Go SEA)

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