UCSF

ZINC18209904

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 16 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) 0.75 2.55 -22.56 4 6 0 100 233.256 0
Hi High (pH 8-9.5) 1.21 1.1 -48.95 3 6 -1 104 232.248 0
Lo Low (pH 4.5-6) 0.75 3.53 -42.32 5 6 1 102 234.264 0

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

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