UCSF

ZINC03905225

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 2005 20 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) 0.82 4.2 -12.48 2 6 0 95 311.75 4
Mid Mid (pH 6-8) 0.82 4.71 -49.84 2 6 0 93 311.75 4
Mid Mid (pH 6-8) 0.82 4.25 -39.32 1 6 -1 92 310.742 4
Mid Mid (pH 6-8) 0.82 4.65 -50.33 3 6 1 96 312.758 4

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

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