UCSF

ZINC19996505

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 25 No

Download: MOL2 SDF SMILES Flexibase

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) 2.10 4.91 -47.93 1 7 -1 90 341.391 4
Ref Reference (pH 7) 2.10 4.2 -49.83 1 7 -1 90 341.391 4
Lo Low (pH 4.5-6) 1.64 6.69 -8.65 2 7 0 87 342.399 4
Lo Low (pH 4.5-6) 2.10 6.22 -57.27 2 7 0 91 342.399 4

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

No pre-computed analogs available. Try a structural similarity search.