UCSF

ZINC40124232

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 29 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) 3.56 5.26 -56.18 2 6 -1 99 394.447 6
Lo Low (pH 4.5-6) 3.56 4.5 -13.69 3 6 0 96 395.455 6

Activity (Go SEA)

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