UCSF

ZINC33811327

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 27 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) 4.44 10.56 -45.45 1 4 1 42 450.422 3
Mid Mid (pH 6-8) 4.44 8.85 -8.11 0 4 0 41 449.414 3

Activity (Go SEA)

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