UCSF

ZINC42946312

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 4.20 9.02 -118.42 4 2 2 32 324.921 6
Mid Mid (pH 6-8) 4.20 7.1 -47.98 3 2 1 31 323.913 6
Mid Mid (pH 6-8) 4.20 8.72 -35.83 3 2 1 30 323.913 6

Activity (Go SEA)

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