UCSF

ZINC36379084

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2009 28 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) 3.52 12.37 -19.01 1 8 0 116 402.484 18
Hi High (pH 8-9.5) 4.10 11.24 -44.68 1 8 -1 122 401.476 17

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

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