UCSF

ZINC31933230

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.54 9.72 -47.96 1 5 1 40 330.795 3
Mid Mid (pH 6-8) 3.54 8.22 -9.08 0 5 0 39 329.787 3
Lo Low (pH 4.5-6) 3.54 10.13 -99.29 2 5 2 41 331.803 3

Activity (Go SEA)

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