UCSF

ZINC09336453

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2007 21 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) 2.09 -1.23 -45.42 1 8 -1 112 326.383 5
Mid Mid (pH 6-8) 2.09 -1.18 -16.89 2 8 0 113 327.391 5
Mid Mid (pH 6-8) 2.09 0.59 -95.63 0 8 -2 114 325.375 5

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

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