UCSF

ZINC44121195

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 21 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) 2.14 5.49 -39.22 2 4 1 41 289.399 4
Hi High (pH 8-9.5) 2.14 5.61 -37.88 2 4 1 41 289.399 4
Lo Low (pH 4.5-6) 2.14 7.88 -104.23 3 4 2 42 290.407 4

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