UCSF

ZINC34829924

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 34 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) 5.37 13.49 -12.8 0 5 0 44 485.669 8
Mid Mid (pH 6-8) 5.37 15.2 -49.23 1 5 1 45 486.677 8

Activity (Go SEA)

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