UCSF

ZINC28182845

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 30 No

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) 4.96 13.26 -35.89 1 5 0 63 404.51 7
Mid Mid (pH 6-8) 4.96 12.47 -50.18 2 5 1 60 405.518 7

Activity (Go SEA)

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