UCSF

ZINC53329727

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 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) 3.11 7.84 -35.23 2 2 1 29 241.358 4
Hi High (pH 8-9.5) 3.11 6.85 -4.55 1 2 0 25 240.35 4
Lo Low (pH 4.5-6) 3.11 8.37 -105.97 3 2 2 31 242.366 4

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

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