UCSF

ZINC49515911

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2010 18 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) 1.67 5.28 -41.19 2 4 1 45 247.318 1
Hi High (pH 8-9.5) 1.67 4.03 -55.33 0 4 -1 47 245.302 1
Mid Mid (pH 6-8) 1.67 3.13 -9.18 1 4 0 44 246.31 1

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

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