UCSF

ZINC62941891

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 18 No

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) 0.90 5.43 -34.22 1 4 1 34 253.366 3
Hi High (pH 8-9.5) 0.90 3.88 -7.85 0 4 0 33 252.358 3
Lo Low (pH 4.5-6) 0.90 6.57 -111.5 2 4 2 35 254.374 3

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

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