UCSF

ZINC43409503

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) 2.44 8.51 -190.23 5 4 3 49 291.463 4
Hi High (pH 8-9.5) 2.44 6.3 -100.27 4 4 2 48 290.455 4
Mid Mid (pH 6-8) 2.44 8.09 -105.05 4 4 2 48 290.455 4
Mid Mid (pH 6-8) 2.44 5.87 -47.71 3 4 1 47 289.447 4

Activity (Go SEA)

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