UCSF

ZINC62605673

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2011 21 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) 0.51 3.07 -38.45 2 6 1 68 307.399 3
Hi High (pH 8-9.5) 0.51 2.65 -14.94 1 6 0 67 306.391 3
Lo Low (pH 4.5-6) 0.51 3.99 -60.07 2 6 1 72 307.399 3

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

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