UCSF

ZINC45166942

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2010 22 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) 4.88 10.81 -37.37 2 2 1 16 321.916 5
Mid Mid (pH 6-8) 4.88 10.12 -43.74 2 2 1 20 321.916 5

Activity (Go SEA)

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