UCSF

ZINC09883770

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2007 27 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) 2.94 -3.47 -13.04 2 5 0 75 355.397 4
Lo Low (pH 4.5-6) 2.94 -3.36 -49.94 3 5 1 76 356.405 4

Activity (Go SEA)

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