UCSF

ZINC60991895

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2011 24 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) 3.89 10.53 -40.46 1 4 1 26 327.448 7
Mid Mid (pH 6-8) 3.89 8.33 -6.56 0 4 0 25 326.44 7

Activity (Go SEA)

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