UCSF

ZINC06657992

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2006 13 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) -2.80 -4.51 -31.1 8 9 1 164 186.155 2
Mid Mid (pH 6-8) -2.62 -3.14 -39.93 8 9 1 161 186.155 3
Mid Mid (pH 6-8) -1.91 -2.57 -6.63 7 9 0 162 185.147 2

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

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