UCSF

ZINC69563204

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 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) 2.16 5.6 -32.05 1 3 1 17 241.399 4
Hi High (pH 8-9.5) 2.16 3.71 -1.84 0 3 0 16 240.391 4
Lo Low (pH 4.5-6) 2.16 7.87 -100.38 2 3 2 18 242.407 4

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

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