UCSF

ZINC21981254

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 19 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) 2.12 6.52 -104.62 3 3 2 34 253.349 0
Hi High (pH 8-9.5) 2.12 4.88 -6.27 1 3 0 28 251.333 0
Mid Mid (pH 6-8) 2.12 6.31 -45.97 2 3 1 33 252.341 0

Activity (Go SEA)

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

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