UCSF

ZINC19395037

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 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) 1.15 5.59 -50.65 2 3 1 37 223.34 2
Mid Mid (pH 6-8) 1.15 4.22 -7.54 1 3 0 32 222.332 2

Activity (Go SEA)

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