UCSF

ZINC22237786

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 25 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) 3.07 8.21 -45.48 2 6 1 59 341.435 4
Mid Mid (pH 6-8) 3.07 5.74 -13.66 1 6 0 58 340.427 4

Activity (Go SEA)

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