UCSF

ZINC51412049

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 25 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) 1.80 6.04 -12.85 2 6 0 76 335.363 4
Mid Mid (pH 6-8) 1.80 6.81 -44.92 3 6 1 77 336.371 4

Activity (Go SEA)

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