UCSF

ZINC22162508

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 19 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) 1.83 4.96 -97.6 4 3 2 35 283.847 4
Lo Low (pH 4.5-6) 1.83 4.81 -139.56 4 3 2 35 283.847 4

Activity (Go SEA)

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