UCSF

ZINC43895332

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 4.30 10.52 -7.76 3 2 0 21 290.495 5
Hi High (pH 8-9.5) 4.30 9.47 -69.4 2 2 0 20 289.487 5
Hi High (pH 8-9.5) 4.30 9.59 -68.99 2 2 0 16 289.487 5

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