UCSF

ZINC36842116

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 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) 3.37 6.87 -42.5 2 3 1 29 277.432 8
Mid Mid (pH 6-8) 3.37 7.72 -34.65 2 3 1 26 277.432 8
Mid Mid (pH 6-8) 3.37 8.99 -117.46 3 3 2 30 278.44 8

Activity (Go SEA)

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