UCSF

ZINC52361720

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 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) -0.05 4.55 -47.61 4 7 1 100 289.315 6
Mid Mid (pH 6-8) -0.05 3.73 -22.23 3 7 0 99 288.307 6

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

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