UCSF

ZINC22169943

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 18 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) 0.26 3.94 -120.16 4 4 2 48 250.39 5
Mid Mid (pH 6-8) 0.26 1.64 -51.15 3 4 1 47 249.382 5
Lo Low (pH 4.5-6) 0.26 4.39 -188.48 5 4 3 49 251.398 5

Activity (Go SEA)

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