UCSF

ZINC09186038

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2007 35 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) 5.72 13.05 -13.03 2 6 0 86 485.609 6
Lo Low (pH 4.5-6) 5.72 -0.77 -33.59 3 6 1 86 486.617 6

Activity (Go SEA)

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