UCSF

ZINC67740129

Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 25 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) 3.11 11.11 -85.26 3 5 2 50 341.503 7
Hi High (pH 8-9.5) 3.11 10.76 -39.84 2 5 1 49 340.495 7
Mid Mid (pH 6-8) 3.11 11.58 -166.35 4 5 3 51 342.511 7

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

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