UCSF

ZINC43900992

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 2.31 4.13 -38.08 2 2 1 20 225.278 5
Lo Low (pH 4.5-6) 2.31 6.33 -111.4 3 2 2 21 226.286 5

Activity (Go SEA)

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