UCSF

ZINC15779543

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 27 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) 3.65 10.67 -38.05 1 5 1 37 366.533 5
Mid Mid (pH 6-8) 3.65 8.3 -6.52 0 5 0 35 365.525 5

Activity (Go SEA)

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