UCSF

ZINC20070510

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 1.77 6.84 -31.62 2 4 1 35 279.404 7
Hi High (pH 8-9.5) 1.77 4.54 -4.36 1 4 0 34 278.396 7
Mid Mid (pH 6-8) 1.77 4.75 -38.93 2 4 1 38 279.404 7

Activity (Go SEA)

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