UCSF

ZINC62976205

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 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) 1.47 9.22 -67.07 1 5 0 65 294.395 5
Hi High (pH 8-9.5) 1.47 7.19 -56.18 0 5 -1 64 293.387 5
Lo Low (pH 4.5-6) 1.47 6.79 -44.84 2 5 1 62 295.403 5

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

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