UCSF

ZINC19530335

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 26 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) 1.44 8.94 -56.54 1 7 1 77 361.418 6
Mid Mid (pH 6-8) 1.44 6.73 -15.7 0 7 0 76 360.41 6

Activity (Go SEA)

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