UCSF

ZINC62967689

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 13 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) 1.50 5.17 -32.78 1 2 1 8 203.737 3
Hi High (pH 8-9.5) 1.50 2.77 -1.48 0 2 0 6 202.729 3
Lo Low (pH 4.5-6) 1.50 7.53 -105.71 2 2 2 9 204.745 3

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

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