UCSF

ZINC09240443

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 28 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) 1.77 8.6 -12.67 1 6 0 79 373.412 5
Lo Low (pH 4.5-6) 1.77 9.03 -39.6 2 6 1 80 374.42 5

Activity (Go SEA)

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