UCSF

ZINC22201205

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) 3.31 6.58 -16.99 1 3 0 54 240.258 3
Mid Mid (pH 6-8) 3.31 7.61 -60.29 0 3 -1 57 239.25 3

Activity (Go SEA)

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