UCSF

ZINC19371037

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 26 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) 4.91 9.96 -39.23 1 4 1 26 396.338 8
Mid Mid (pH 6-8) 4.91 7.71 -6.24 0 4 0 25 395.33 8

Activity (Go SEA)

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