UCSF

ZINC42915266

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 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) 2.60 6.43 -117.35 5 4 2 61 293.455 8
Mid Mid (pH 6-8) 2.60 6.12 -35.38 4 4 1 60 292.447 8
Mid Mid (pH 6-8) 2.60 5.04 -46.4 4 4 1 60 292.447 8

Activity (Go SEA)

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