UCSF

ZINC35546360

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 21 No

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) 2.78 5.71 -49.61 3 6 1 92 289.311 6
Hi High (pH 8-9.5) 2.78 4.96 -35.6 1 6 -1 90 287.295 6
Mid Mid (pH 6-8) 2.78 6.35 -30.46 2 6 0 95 288.303 6

Activity (Go SEA)

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