UCSF

ZINC24866206

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 15 No

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) 1.56 4.39 -8.3 0 3 0 24 230.739 2
Mid Mid (pH 6-8) 1.56 6.61 -47.13 1 3 1 25 231.747 2

Activity (Go SEA)

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