UCSF

ZINC70094467

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2011 18 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) 1.74 3.11 -31.29 2 4 1 47 251.35 6
Hi High (pH 8-9.5) 1.74 2.04 -6.48 1 4 0 46 250.342 6

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

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