UCSF

ZINC09117810

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 31 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) 3.86 11.29 -16.63 1 7 0 82 412.449 5
Lo Low (pH 4.5-6) 3.86 11.46 -51.96 2 7 1 83 413.457 5

Activity (Go SEA)

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