UCSF

ZINC23903756

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2009 22 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) 1.75 5.59 -13.09 1 5 0 62 314.414 5
Hi High (pH 8-9.5) 2.21 4.54 -43.48 0 5 -1 65 313.406 5
Mid Mid (pH 6-8) 1.75 7.96 -50.69 2 5 1 63 315.422 5
Mid Mid (pH 6-8) 2.21 6.91 -39.67 1 5 0 66 314.414 5

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

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