UCSF

ZINC62963264

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 18 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) 1.34 1.31 -12.99 1 4 0 59 288.438 4
Mid Mid (pH 6-8) 1.34 2.46 -48.89 2 4 1 64 289.446 4
Lo Low (pH 4.5-6) 1.34 3.34 -114.93 3 4 2 65 290.454 4

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

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