UCSF

ZINC35285577

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 13 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) 1.49 1.74 -44.87 4 3 1 60 219.717 4
Mid Mid (pH 6-8) 1.49 0.56 -10.1 3 3 0 55 218.709 4

Activity (Go SEA)

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