UCSF

ZINC44133005

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) 2.49 5.94 -37.41 2 3 1 28 277.432 5
Hi High (pH 8-9.5) 2.49 6.29 -34.78 2 3 1 28 277.432 5
Lo Low (pH 4.5-6) 2.49 8.55 -100.87 3 3 2 29 278.44 5

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