UCSF

ZINC48636037

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2010 14 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) 2.32 5.43 -41.41 3 3 1 54 202.318 7
Mid Mid (pH 6-8) 2.32 5.14 -2.88 2 3 0 52 201.31 7

Activity (Go SEA)

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