UCSF

ZINC69104833

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 27 No

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) 4.24 8.31 -44.4 1 7 -1 115 381.389 4
Hi High (pH 8-9.5) 4.24 8.33 -96.73 0 7 -2 117 380.381 4
Mid Mid (pH 6-8) 4.24 7.33 -13.97 2 7 0 112 382.397 4

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

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