UCSF

ZINC15629444

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2008 17 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) 3.90 5.51 -6.19 1 3 0 42 273.163 2
Mid Mid (pH 6-8) 3.97 2.79 -6.97 1 3 0 45 273.163 2

Activity (Go SEA)

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