UCSF

ZINC40479432

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 15 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) 2.07 4.39 -4.41 0 2 0 12 209.264 2
Lo Low (pH 4.5-6) 2.07 6.68 -33.14 1 2 1 14 210.272 2

Activity (Go SEA)

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