UCSF

ZINC53303329

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 3.14 8.84 -30.76 2 2 1 29 241.358 4
Hi High (pH 8-9.5) 3.14 7.97 -4.57 1 2 0 25 240.35 4
Lo Low (pH 4.5-6) 3.14 8.53 -104.37 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.