UCSF

ZINC45658585

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 1.03 6.07 -103.77 4 3 2 35 269.458 5
Hi High (pH 8-9.5) 1.03 2.23 -42.87 3 3 1 34 268.45 5
Hi High (pH 8-9.5) 1.03 4.23 -29.63 3 3 1 34 268.45 5
Mid Mid (pH 6-8) 1.03 4.58 -118.27 4 3 2 35 269.458 5

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