UCSF

ZINC62820893

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2011 11 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) 0.18 3.37 -36.23 3 3 1 45 152.221 3
Hi High (pH 8-9.5) 0.18 1.92 -6.06 2 3 0 41 151.213 3
Lo Low (pH 4.5-6) 0.18 3.76 -96.71 4 3 2 47 153.229 3

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

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