UCSF

ZINC69951548

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 22 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) 0.74 2.29 -10.13 1 5 0 53 304.39 4
Lo Low (pH 4.5-6) 0.74 4.56 -47.19 2 5 1 54 305.398 4

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

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