UCSF

ZINC36706891

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 33 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) 4.31 8.71 -12.94 0 7 0 64 469.607 9
Mid Mid (pH 6-8) 4.31 10.97 -40.93 1 7 1 65 470.615 9

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