UCSF

ZINC43404781

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 21 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) 1.34 5.53 -54.28 3 6 -1 108 290.343 8
Mid Mid (pH 6-8) 1.34 5.86 -62.52 4 6 0 109 291.351 8
Lo Low (pH 4.5-6) 1.34 3.89 -35.49 5 6 1 107 292.359 8

Activity (Go SEA)

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