UCSF

ZINC55061163

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2010 21 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) 2.33 7.84 -8.21 0 4 0 30 285.391 8
Mid Mid (pH 6-8) 2.33 8.37 -28.95 1 4 1 32 286.399 8
Lo Low (pH 4.5-6) 2.33 10.13 -31.31 1 4 1 31 286.399 8

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

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