UCSF

ZINC14240197

Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 24 Yes

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) 2.77 6.45 -12.85 0 4 0 41 348.443 5
Mid Mid (pH 6-8) 2.77 8.66 -59.94 1 4 1 42 349.451 5

Activity (Go SEA)

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