UCSF

ZINC62988123

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 19 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) 2.62 3.16 -7.81 3 5 0 88 257.293 2
Hi High (pH 8-9.5) 2.77 0.54 -46.49 2 5 -1 91 256.285 2
Mid Mid (pH 6-8) 2.75 3.45 -39.95 4 5 1 88 258.301 3

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

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