UCSF

ZINC17921039

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2008 25 No

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) 1.52 4.44 -18.38 0 6 0 76 380.491 4
Lo Low (pH 4.5-6) 1.52 5.57 -45.04 1 6 1 78 381.499 4

Activity (Go SEA)

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