UCSF

ZINC62030643

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2011 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) 0.00 0.82 -41.35 3 5 1 59 259.37 5
Hi High (pH 8-9.5) 0.00 0.63 -4.27 2 5 0 57 258.362 5
Mid Mid (pH 6-8) 0.00 2.85 -119.11 4 5 2 60 260.378 5
Lo Low (pH 4.5-6) 0.00 2.6 -34.58 3 5 1 58 259.37 5

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

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