UCSF

ZINC48927651

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 21 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) 1.83 4.05 -11.34 1 5 0 65 287.363 4
Mid Mid (pH 6-8) 1.83 6.15 -47.09 2 5 1 67 288.371 4

Activity (Go SEA)

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