UCSF

ZINC20191130

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.89 5.49 -5.59 3 3 0 55 201.273 2
Mid Mid (pH 6-8) 2.89 5.53 -31.78 4 3 1 56 202.281 2

Activity (Go SEA)

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