UCSF

ZINC41363728

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2010 17 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) 0.87 5.32 -35.51 1 4 1 28 240.371 3
Mid Mid (pH 6-8) 0.87 5.24 -36.36 1 4 1 28 240.371 3
Mid Mid (pH 6-8) 0.87 3.03 -7.61 0 4 0 27 239.363 3

Activity (Go SEA)

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