UCSF

ZINC34829816

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 35 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) 4.32 15.18 -45.92 1 5 1 45 488.677 4
Mid Mid (pH 6-8) 4.32 14.82 -12.67 0 5 0 44 487.669 4

Activity (Go SEA)

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