UCSF

ZINC09067050

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 36 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) 3.96 10.41 -47.68 2 8 1 90 497.612 12
Mid Mid (pH 6-8) 2.93 11.07 -48.52 1 8 1 87 497.612 13

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