UCSF

ZINC52516066

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2010 19 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) 0.18 2.59 -47.45 2 4 1 50 302.489 6
Hi High (pH 8-9.5) 0.18 1.21 -17.31 1 4 0 45 301.481 6
Lo Low (pH 4.5-6) 0.18 4.72 -108.07 3 4 2 51 303.497 6

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

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