UCSF

ZINC35234168

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2009 16 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) -0.48 -1.87 -10.54 3 6 0 95 225.248 3
Mid Mid (pH 6-8) -0.02 -4.24 -57.57 2 6 -1 98 224.24 3

Activity (Go SEA)

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