UCSF

ZINC08979514

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.70 -3 -14.34 2 6 0 83 406.511 5
Lo Low (pH 4.5-6) 2.70 -2.94 -44.85 3 6 1 85 407.519 5

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