UCSF

ZINC17293269

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 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) 3.58 10 -72 1 6 -1 87 399.224 4
Lo Low (pH 4.5-6) 4.10 8.5 -45.81 2 6 0 92 400.232 4

Activity (Go SEA)

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