UCSF

ZINC40189613

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2010 35 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) 6.33 13.99 -12.87 1 6 0 67 480.697 9
Mid Mid (pH 6-8) 6.33 14.83 -30.93 2 6 1 68 481.705 9

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