UCSF

ZINC53033063

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2010 17 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) 1.59 6.08 -81.5 3 3 2 24 241.423 6
Mid Mid (pH 6-8) 1.59 6.21 -99.39 3 3 2 24 241.423 6
Mid Mid (pH 6-8) 1.59 8.43 -188.17 4 3 3 25 242.431 6
Mid Mid (pH 6-8) 1.59 3.84 -37.8 2 3 1 23 240.415 6

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

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