UCSF

ZINC43441834

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) -0.90 3.74 -60.08 3 6 -1 108 250.278 6
Lo Low (pH 4.5-6) -0.90 4.04 -47.31 4 6 0 109 251.286 6

Activity (Go SEA)

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