UCSF

ZINC37269537

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 15 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 2.43 6.79 -112.42 3 2 2 21 277.181 5
Hi High (pH 8-9.5) 2.43 3.02 -2.19 1 2 0 15 275.165 5
Hi High (pH 8-9.5) 2.43 5.35 -34.57 2 2 1 16 276.173 5
Mid Mid (pH 6-8) 2.43 4.47 -38.45 2 2 1 20 276.173 5

Activity (Go SEA)

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