UCSF

ZINC40184021

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) 3.55 12.65 -13.31 0 6 0 60 428.536 9
Mid Mid (pH 6-8) 3.55 13.49 -37.52 1 6 1 62 429.544 9

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