UCSF

ZINC41663573

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 1.64 10.63 -107.5 3 5 2 51 289.427 4
Hi High (pH 8-9.5) 1.64 8.38 -51.72 2 5 1 50 288.419 4
Hi High (pH 8-9.5) 1.64 9.33 -41.25 2 5 1 47 288.419 4

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