UCSF

ZINC44627193

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) 1.31 3.97 -38.12 2 4 1 52 202.274 6
Mid Mid (pH 6-8) 1.31 2.76 -6.72 1 4 0 48 201.266 6

Activity (Go SEA)

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