UCSF

ZINC62972734

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 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) 1.45 4.94 -102.64 4 4 2 52 255.406 4
Hi High (pH 8-9.5) 1.45 5 -37.59 3 4 1 51 254.398 4
Hi High (pH 8-9.5) 1.45 2.87 -6.9 2 4 0 50 253.39 4

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

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