UCSF

ZINC22701264

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 26 Yes

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) 2.11 6.09 -66.83 2 8 0 103 354.414 6
Hi High (pH 8-9.5) 2.11 3.96 -53.55 1 8 -1 102 353.406 6
Lo Low (pH 4.5-6) 1.65 7.94 -45.8 3 8 1 100 355.422 6

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

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