UCSF

ZINC49236798

Substance Information

In ZINC since Heavy atoms Benign functionality
September 25th, 2010 16 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) -1.45 2.8 -11.57 1 7 0 90 222.204 3
Mid Mid (pH 6-8) -0.99 0.56 -46.57 1 7 0 94 222.204 3
Mid Mid (pH 6-8) -1.45 3.31 -38.91 2 7 1 91 223.212 3
Mid Mid (pH 6-8) -0.99 0.05 -40.84 0 7 -1 93 221.196 3

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

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