UCSF

ZINC51404292

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 24 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) 2.49 4.22 -13.71 1 5 0 59 333.428 6
Mid Mid (pH 6-8) 2.49 6.37 -46.22 2 5 1 60 334.436 6

Activity (Go SEA)

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