UCSF

ZINC40293260

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2010 19 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) 0.69 3.52 -12.1 2 5 0 59 263.341 4
Mid Mid (pH 6-8) 0.69 5.74 -49.01 3 5 1 60 264.349 4

Activity (Go SEA)

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