UCSF

ZINC34234768

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.51 3.44 -44.23 1 7 -1 104 420.228 3
Hi High (pH 8-9.5) 3.51 4.36 -95.72 0 7 -2 107 419.22 3
Lo Low (pH 4.5-6) 3.05 6.11 -12.23 2 7 0 101 421.236 3

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