UCSF

ZINC22052850

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 30 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) 5.32 10.98 -48.67 2 3 1 35 438.363 6
Mid Mid (pH 6-8) 5.32 9.64 -4.78 1 3 0 30 437.355 6

Activity (Go SEA)

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