UCSF

ZINC61330057

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 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) 2.51 6.42 -33.03 2 2 1 16 251.419 2
Hi High (pH 8-9.5) 2.51 4.46 -2.05 1 2 0 15 250.411 2
Hi High (pH 8-9.5) 2.51 5.73 -36 2 2 1 20 251.419 2
Lo Low (pH 4.5-6) 2.51 7.7 -104.33 3 2 2 21 252.427 2

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

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