UCSF

ZINC25782049

Substance Information

In ZINC since Heavy atoms Benign functionality
February 1st, 2009 30 No

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) 1.68 2.46 -19.44 3 12 0 150 431.844 6
Mid Mid (pH 6-8) 1.68 4.87 -48.75 4 12 1 151 432.852 6

Activity (Go SEA)

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