UCSF

ZINC35098323

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 19 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) 2.47 8.05 -107.77 3 3 2 30 266.429 10
Hi High (pH 8-9.5) 2.47 7.32 -2.18 1 3 0 24 264.413 10
Mid Mid (pH 6-8) 2.47 7.27 -27.37 2 3 1 26 265.421 10
Mid Mid (pH 6-8) 2.47 6.44 -35.14 2 3 1 29 265.421 10

Activity (Go SEA)

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