UCSF

ZINC42901913

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) 2.59 8.12 -122.64 4 3 2 41 286.419 6
Mid Mid (pH 6-8) 2.59 5.23 -45.39 3 3 1 40 285.411 6
Mid Mid (pH 6-8) 2.59 7.71 -33.88 3 3 1 40 285.411 6

Activity (Go SEA)

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