UCSF

ZINC20118269

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 4.00 8.8 -35.2 1 3 1 17 291.459 5
Mid Mid (pH 6-8) 4.00 8.73 -34.27 1 3 1 17 291.459 5
Mid Mid (pH 6-8) 4.00 6.34 -3.88 0 3 0 16 290.451 5

Activity (Go SEA)

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

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