UCSF

ZINC36272099

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 25 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) 1.70 6.91 -42.37 3 7 1 77 346.455 7
Mid Mid (pH 6-8) 1.70 6.91 -40.62 3 7 1 77 346.455 7
Mid Mid (pH 6-8) 1.70 4.64 -13.3 2 7 0 76 345.447 7
Lo Low (pH 4.5-6) 1.70 7.37 -76.79 4 7 2 79 347.463 7

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