UCSF

ZINC63012995

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 20 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) 1.22 5.33 -51.85 3 5 1 58 273.36 2
Hi High (pH 8-9.5) 1.22 4.93 -6.98 2 5 0 56 272.352 2
Lo Low (pH 4.5-6) 1.22 5.47 -106.72 4 5 2 59 274.368 2

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

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