UCSF

ZINC19258982

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 12 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) -0.16 4.29 -99.86 4 3 2 47 167.256 1
Mid Mid (pH 6-8) -0.16 3.87 -45.1 3 3 1 45 166.248 1

Activity (Go SEA)

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