UCSF

ZINC49306349

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 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) -1.72 4.78 -32.98 1 6 0 68 255.318 5
Mid Mid (pH 6-8) -1.72 2.58 -49.58 0 6 -1 67 254.31 5
Mid Mid (pH 6-8) -1.72 4.79 -56.1 1 6 0 68 255.318 5

Activity (Go SEA)

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

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