UCSF

ZINC53521765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 3.00 9.27 -38.68 2 3 1 21 282.411 6
Hi High (pH 8-9.5) 3.00 6.8 -6.02 1 3 0 20 281.403 6
Mid Mid (pH 6-8) 3.00 8.15 -48.16 2 3 1 25 282.411 6
Lo Low (pH 4.5-6) 3.00 10.62 -124.1 3 3 2 26 283.419 6

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

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