UCSF

ZINC43304728

Substance Information

In ZINC since Heavy atoms Benign functionality
May 11th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.46 1.96 -14.5 0 6 0 47 296.415 3
Mid Mid (pH 6-8) -0.46 4.21 -51.96 1 6 1 48 297.423 3
Mid Mid (pH 6-8) -0.46 4.4 -42.71 1 6 1 48 297.423 3
Lo Low (pH 4.5-6) -0.46 6.61 -104.21 2 6 2 49 298.431 3

Activity (Go SEA)

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