UCSF

ZINC40187553

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 32 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) 5.39 12.47 -13.76 1 6 0 65 429.52 8
Mid Mid (pH 6-8) 5.39 13.04 -36.76 2 6 1 67 430.528 8

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