UCSF

ZINC43900780

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) 2.44 4.06 -35.61 2 2 1 20 225.278 4
Lo Low (pH 4.5-6) 2.44 5.84 -112.67 3 2 2 21 226.286 4

Activity (Go SEA)

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