UCSF

ZINC62798811

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 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) 0.06 5.14 -49.2 3 3 1 50 241.314 3
Hi High (pH 8-9.5) 0.06 4.84 -7.09 2 3 0 48 240.306 3
Lo Low (pH 4.5-6) 0.06 5.61 -85.56 4 3 2 51 242.322 3

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

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