UCSF

ZINC37079692

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 17 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) 0.76 3.88 -24.19 3 3 1 34 238.399 4
Hi High (pH 8-9.5) 0.76 5.58 -28.96 3 3 1 34 238.399 4
Mid Mid (pH 6-8) 0.76 5.96 -86.23 4 3 2 35 239.407 4
Mid Mid (pH 6-8) 0.76 5.72 -97.64 4 3 2 35 239.407 4
Lo Low (pH 4.5-6) 0.76 5.98 -195.09 5 3 3 37 240.415 4

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

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