UCSF

ZINC40266600

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2010 29 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) 0.20 1.87 -19.98 2 9 0 118 418.475 6
Lo Low (pH 4.5-6) 0.20 2.33 -51.19 3 9 1 119 419.483 6

Activity (Go SEA)

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