UCSF

ZINC39729445

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 33 No

Download: MOL2 SDF SMILES Flexibase

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) 0.69 8.25 -37.9 1 7 1 66 487.671 9
Mid Mid (pH 6-8) 0.69 10.51 -108.78 2 7 2 67 488.679 9

Activity (Go SEA)

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