UCSF

ZINC40834306

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 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) 2.14 6.02 -39.31 2 3 1 50 232.694 3
Mid Mid (pH 6-8) 2.14 5.61 -13.69 1 3 0 49 231.686 3

Activity (Go SEA)

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