UCSF

ZINC48953816

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 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) 0.10 3.59 -49.32 3 5 1 59 293.387 6
Hi High (pH 8-9.5) 0.10 2.96 -6.08 2 5 0 57 292.379 6
Mid Mid (pH 6-8) 0.10 5.49 -136.59 4 5 2 60 294.395 6

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

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