UCSF

ZINC70194935

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 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) 3.91 8.03 -6.28 2 3 0 38 302.805 4
Lo Low (pH 4.5-6) 3.91 8.47 -31.49 3 3 1 40 303.813 4
Lo Low (pH 4.5-6) 3.91 7.89 -44.46 3 3 1 40 303.813 4

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

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