UCSF

ZINC44627062

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 2.41 7 -39.31 2 3 1 43 202.318 9
Mid Mid (pH 6-8) 2.41 5.65 -4.32 1 3 0 38 201.31 9

Activity (Go SEA)

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