UCSF

ZINC09561721

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 33 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) 4.18 11.72 -18.24 2 6 0 76 464.635 9
Lo Low (pH 4.5-6) 4.18 12.18 -41.4 3 6 1 77 465.643 9

Activity (Go SEA)

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