UCSF

ZINC19180120

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2008 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) 4.24 13.39 -12.91 0 6 0 54 476.433 6
Mid Mid (pH 6-8) 4.24 15.67 -55.02 1 6 1 55 477.441 6

Activity (Go SEA)

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