UCSF

ZINC04889292

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 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) 3.12 5.03 -12.59 3 8 0 123 402.41 5
Ref Reference (pH 7) 3.12 4.43 -12.39 3 8 0 123 402.41 5
Lo Low (pH 4.5-6) 3.12 5.31 -65.35 4 8 1 125 403.418 5

Activity (Go SEA)

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