UCSF

ZINC15936852

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 27 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) 2.89 5.71 -52.86 0 7 -1 92 418.398 5
Mid Mid (pH 6-8) 2.89 6.12 -53.82 1 7 0 93 419.406 5
Lo Low (pH 4.5-6) 2.89 6.09 -44.25 2 7 1 91 420.414 5
Lo Low (pH 4.5-6) 2.89 5.68 -15.39 1 7 0 90 419.406 5

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

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