UCSF

ZINC69134588

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2011 19 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) 0.45 2.03 -52.21 2 6 1 67 280.377 2
Hi High (pH 8-9.5) 0.45 0.86 -15.17 1 6 0 63 279.369 2
Lo Low (pH 4.5-6) 0.45 2.45 -96.32 3 6 2 68 281.385 2

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

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