UCSF

ZINC20054090

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 15 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) 0.86 3.32 -39.81 3 4 1 46 216.349 8
Mid Mid (pH 6-8) 0.86 4.72 -104.18 4 4 2 50 217.357 8
Mid Mid (pH 6-8) 0.86 2.19 -43.29 3 4 1 49 216.349 8

Activity (Go SEA)

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