UCSF

ZINC57988986

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2011 14 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) -2.46 0.95 -27.17 1 4 1 46 216.644 0
Mid Mid (pH 6-8) 1.38 2.81 -8.24 0 4 0 43 215.636 1

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

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