UCSF

ZINC52274878

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 19 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) 3.30 10.55 -106.17 3 2 2 21 260.425 5
Hi High (pH 8-9.5) 3.30 8.3 -34.95 2 2 1 20 259.417 5
Hi High (pH 8-9.5) 3.30 9.48 -37.34 2 2 1 16 259.417 5

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