UCSF

ZINC31155912

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 24 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) 4.22 10.06 -99.37 0 4 -2 80 334.456 6
Lo Low (pH 4.5-6) 4.22 8.94 -51.35 1 4 -1 77 335.464 6

Activity (Go SEA)

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