UCSF

ZINC69976380

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 16 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) 0.67 3.82 -38.41 3 4 1 55 222.312 4
Hi High (pH 8-9.5) 0.67 2.44 -6.3 2 4 0 50 221.304 4
Lo Low (pH 4.5-6) 0.67 4.17 -107.02 4 4 2 56 223.32 4

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

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