UCSF

ZINC62976229

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 0.91 7.22 -70.48 1 5 0 65 254.33 5
Hi High (pH 8-9.5) 0.91 5.2 -48.38 0 5 -1 64 253.322 5
Lo Low (pH 4.5-6) 0.91 5.24 -42.06 2 5 1 62 255.338 5

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

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