UCSF

ZINC25179761

Substance Information

In ZINC since Heavy atoms Benign functionality
January 25th, 2009 30 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) 2.23 7.23 -81.23 2 7 0 94 410.47 8
Lo Low (pH 4.5-6) 2.23 6.41 -58.28 3 7 1 92 411.478 8

Activity (Go SEA)

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