UCSF

ZINC58356598

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 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) 1.30 7.89 -15.16 1 6 0 72 246.27 4
Hi High (pH 8-9.5) 1.30 6.39 -58.21 0 6 -1 75 245.262 5

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

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