UCSF

ZINC37730683

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.47 1.03 -62.95 3 7 0 117 323.403 3
Hi High (pH 8-9.5) 0.47 -0.26 -40.66 2 7 -1 113 322.395 3

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

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