UCSF

ZINC41683130

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) -2.49 4.24 -114.48 2 9 -2 148 288.256 10
Lo Low (pH 4.5-6) -2.49 2.28 -61.72 3 9 -1 145 289.264 10

Activity (Go SEA)

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