UCSF

ZINC61454820

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 17 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) 2.26 5.52 -42.86 3 2 1 31 233.379 6
Mid Mid (pH 6-8) 2.26 7.25 -33.27 3 2 1 30 233.379 6
Mid Mid (pH 6-8) 2.26 7.63 -109.88 4 2 2 32 234.387 6

Activity (Go SEA)

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

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