UCSF

ZINC43424672

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 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) 3.26 4.4 -45.15 3 3 1 40 269.453 7
Lo Low (pH 4.5-6) 3.26 6.3 -122.52 4 3 2 41 270.461 7

Activity (Go SEA)

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