UCSF

ZINC06199441

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2006 24 No

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) 4.30 6.43 -13.96 1 5 0 79 358.444 3
Ref Reference (pH 7) 4.30 6.33 -12.89 1 5 0 79 358.444 3
Mid Mid (pH 6-8) 4.76 4.49 -58.44 0 5 -1 82 357.436 3
Mid Mid (pH 6-8) 4.76 4.35 -52.11 0 5 -1 82 357.436 3

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

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