UCSF

ZINC42439159

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 19 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) 0.46 2.18 -18.24 3 6 0 97 263.297 4
Hi High (pH 8-9.5) 0.46 2.95 -43.7 3 6 0 101 263.297 4
Mid Mid (pH 6-8) 0.46 3.19 -62.9 2 6 -1 99 262.289 4

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

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