UCSF

ZINC43895905

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.39 6.3 -103.23 3 4 2 40 272.433 5
Hi High (pH 8-9.5) 2.39 4.22 -2.06 1 4 0 34 270.417 5
Hi High (pH 8-9.5) 2.39 4.99 -33.41 2 4 1 38 271.425 5
Hi High (pH 8-9.5) 2.39 5.4 -30.53 2 4 1 35 271.425 5

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