UCSF

ZINC20010074

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 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) 3.87 9.01 -83.75 3 3 2 31 293.842 5
Mid Mid (pH 6-8) 3.87 8.61 -45.63 2 3 1 29 292.834 5

Activity (Go SEA)

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