UCSF

ZINC20118275

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 9.08 -35.44 1 3 1 17 291.459 5
Mid Mid (pH 6-8) 4.00 9.05 -35.74 1 3 1 17 291.459 5
Mid Mid (pH 6-8) 4.00 6.62 -3.28 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.