UCSF

ZINC39051892

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2010 11 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) 2.93 5.78 -4.78 0 1 0 13 149.237 1
Mid Mid (pH 6-8) 2.93 6.09 -23.6 1 1 1 14 150.245 1

Activity (Go SEA)

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