UCSF

ZINC44132951

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2010 20 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) 2.40 5.69 -38.07 2 3 1 28 277.432 4
Hi High (pH 8-9.5) 2.40 5.97 -35.39 2 3 1 28 277.432 4
Lo Low (pH 4.5-6) 2.40 8.3 -102.83 3 3 2 29 278.44 4

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