UCSF

ZINC58340829

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2011 20 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) 2.64 8.6 -83.45 3 4 2 43 272.396 5
Mid Mid (pH 6-8) 2.64 8.49 -42.84 2 4 1 42 271.388 5
Mid Mid (pH 6-8) 2.64 8.61 -76.67 3 4 2 43 272.396 5

Activity (Go SEA)

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

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