UCSF

ZINC44675891

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2010 16 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) 1.62 5.46 -38.89 3 2 1 29 217.336 3
Mid Mid (pH 6-8) 1.62 5.19 -37.6 3 2 1 29 217.336 3
Mid Mid (pH 6-8) 1.62 6.54 -106.82 4 2 2 33 218.344 3

Activity (Go SEA)

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