UCSF

ZINC45966581

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 32 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) 1.86 6.49 -12.39 1 8 0 80 447.576 8
Mid Mid (pH 6-8) 1.86 7.77 -61.37 2 8 1 85 448.584 8

Activity (Go SEA)

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