UCSF

ZINC18167330

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 20 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) 2.95 4.4 -17.89 2 4 0 66 264.284 2
Mid Mid (pH 6-8) 2.95 4.65 -48.66 1 4 -1 69 263.276 2

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

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