UCSF

ZINC43977372

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 3.21 8.24 -109.64 3 3 2 30 270.461 7
Hi High (pH 8-9.5) 3.21 6.43 -35.28 2 3 1 29 269.453 7
Hi High (pH 8-9.5) 3.21 5.33 -0.52 1 3 0 24 268.445 7
Hi High (pH 8-9.5) 3.21 6.93 -26.43 2 3 1 26 269.453 7

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