UCSF

ZINC35843678

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 31 Yes

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) 4.86 15.22 -49.31 2 4 1 41 455.409 9
Mid Mid (pH 6-8) 4.86 12.69 -18.86 1 4 0 39 454.401 9

Activity (Go SEA)

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