UCSF

ZINC61325810

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 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) 3.13 9.79 -46.15 2 1 1 17 276.4 4
Mid Mid (pH 6-8) 3.13 8.6 -4.29 1 1 0 12 275.392 4

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

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