UCSF

ZINC26146961

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 28 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) -0.28 1.47 -23.39 1 8 0 100 405.476 6
Mid Mid (pH 6-8) -0.28 3.8 -65.46 2 8 1 101 406.484 6

Activity (Go SEA)

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