UCSF

ZINC26161783

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 29 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) 1.02 10.89 -43.09 1 7 1 71 396.515 6
Mid Mid (pH 6-8) 1.02 8.58 -11.63 0 7 0 70 395.507 6

Activity (Go SEA)

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