UCSF

ZINC62967765

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 15 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) 1.60 1.15 -33.71 1 5 1 57 210.305 4
Hi High (pH 8-9.5) 1.60 -1.23 -1.6 0 5 0 56 209.297 4
Lo Low (pH 4.5-6) 1.60 3.61 -108.77 2 5 2 59 211.313 4

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

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