UCSF

ZINC05376649

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 28 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) 4.41 9.2 -14.75 1 6 0 65 393.468 5
Mid Mid (pH 6-8) 4.41 8.74 -45.4 0 6 -1 67 392.46 5

Activity (Go SEA)

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