UCSF

ZINC36373068

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 15 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) 2.38 8.54 -24.57 1 2 1 8 209.357 1
Mid Mid (pH 6-8) 2.38 8.79 -0.07 2 2 0 9 210.365 1
Mid Mid (pH 6-8) 2.38 8.41 -26.39 1 2 1 8 209.357 1

Activity (Go SEA)

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