UCSF

ZINC53313691

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2010 33 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) 3.13 11.22 -31.15 2 7 1 67 449.623 5
Hi High (pH 8-9.5) 3.13 11.53 -7.39 1 7 0 66 448.615 5
Mid Mid (pH 6-8) 3.13 13.23 -87.71 3 7 2 68 450.631 5

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

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