UCSF

ZINC43409667

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 2.33 7.36 -104.04 4 4 2 58 273.38 4
Mid Mid (pH 6-8) 2.33 6.93 -52.38 3 4 1 57 272.372 4

Activity (Go SEA)

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