UCSF

ZINC62963247

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 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) 0.39 -0.26 -11.95 1 4 0 59 260.384 2
Mid Mid (pH 6-8) 0.39 0.91 -49.19 2 4 1 64 261.392 2
Lo Low (pH 4.5-6) 0.39 1.78 -112.49 3 4 2 65 262.4 2

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

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