UCSF

ZINC19367901

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 32 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) 6.59 17.13 -35.37 1 2 1 8 419.592 6
Mid Mid (pH 6-8) 6.59 15.49 -3.34 0 2 0 6 418.584 6

Activity (Go SEA)

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