UCSF

ZINC49551869

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 30 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) 1.42 4.36 -18.5 3 8 0 117 408.389 4
Ref Reference (pH 7) 1.87 6.21 -37.56 2 8 -1 119 407.381 4
Hi High (pH 8-9.5) 1.88 1.63 -66.09 2 8 -1 120 407.381 4

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

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