UCSF

ZINC21806340

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 3.81 7.6 -49.72 3 3 1 46 322.215 4
Mid Mid (pH 6-8) 3.81 6.28 -7.13 2 3 0 41 321.207 4

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