UCSF

ZINC20615134

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 27 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) 1.35 6.71 -21.63 2 11 0 166 373.256 4
Hi High (pH 8-9.5) 1.80 4.81 -57.46 1 11 -1 169 372.248 4

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

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