UCSF

ZINC06490905

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 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) 0.91 4.14 -17.47 0 7 0 88 302.333 5
Mid Mid (pH 6-8) 0.91 4.65 -39.61 1 7 1 89 303.341 5

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

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