UCSF

ZINC09168631

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 31 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) 4.37 8.44 -48.21 0 6 -1 84 431.855 5
Lo Low (pH 4.5-6) 3.92 10.88 -10.91 1 6 0 81 432.863 5

Activity (Go SEA)

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