UCSF

ZINC09460903

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 33 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) 4.92 12.02 -22.89 2 6 0 76 440.547 8
Mid Mid (pH 6-8) 4.92 12.42 -47.67 3 6 1 77 441.555 8

Activity (Go SEA)

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