UCSF

ZINC70328224

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2011 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) -1.99 1.5 -13.52 3 7 0 93 285.307 2
Mid Mid (pH 6-8) -1.99 1.82 -62.03 4 7 1 95 286.315 2
Mid Mid (pH 6-8) -1.99 1.82 -61.99 4 7 1 95 286.315 2

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

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