UCSF

ZINC52379353

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.25 5.51 -92.33 3 4 2 37 253.39 6
Mid Mid (pH 6-8) 1.25 5.6 -107.3 3 4 2 37 253.39 6
Mid Mid (pH 6-8) 1.25 3.15 -36.08 2 4 1 36 252.382 6

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.