UCSF

ZINC33797219

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 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) 2.77 6.17 -28.79 2 2 1 16 211.373 3
Mid Mid (pH 6-8) 2.77 7.02 -103.57 3 2 2 21 212.381 3

Activity (Go SEA)

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