UCSF

ZINC37305080

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2009 21 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) 2.99 10.11 -27.86 2 3 0 57 319.451 5
Hi High (pH 8-9.5) 2.99 9.14 -47.9 1 3 -1 52 318.443 5

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

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