UCSF

ZINC49249359

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2010 20 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) 0.70 2.6 -8.77 3 6 0 91 282.25 4
Mid Mid (pH 6-8) 1.16 0.06 -48.56 2 6 -1 94 281.242 4
Lo Low (pH 4.5-6) 1.16 1.15 -20.57 3 6 0 95 282.25 4

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

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