UCSF

ZINC06924444

Substance Information

In ZINC since Heavy atoms Benign functionality
May 2nd, 2006 25 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) 4.78 6.63 -10.45 2 5 0 75 354.431 3
Mid Mid (pH 6-8) 4.29 6.8 -45.68 1 5 -1 74 353.423 4

Activity (Go SEA)

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