UCSF

ZINC62970254

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) 2.51 7.3 -80.8 3 3 2 24 269.477 7
Hi High (pH 8-9.5) 2.51 5.18 -34.98 2 3 1 23 268.469 7
Lo Low (pH 4.5-6) 2.51 9.32 -192.23 4 3 3 25 270.485 7

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

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