UCSF

ZINC13676839

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 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) 0.45 1.46 -21.31 2 6 0 88 305.359 5
Hi High (pH 8-9.5) 0.45 1.53 -49.48 1 6 -1 90 304.351 5
Lo Low (pH 4.5-6) 0.45 1.74 -55.02 3 6 1 89 306.367 5

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

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