UCSF

ZINC53374982

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 21 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) 2.61 9.46 -119.84 3 3 2 30 292.467 9
Mid Mid (pH 6-8) 2.61 8.11 -37.11 2 3 1 26 291.459 9
Mid Mid (pH 6-8) 2.61 7.22 -41.18 2 3 1 29 291.459 9

Activity (Go SEA)

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

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