UCSF

ZINC19231803

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2008 20 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) 1.35 3.92 -73.98 3 4 0 76 355.257 4
Mid Mid (pH 6-8) 1.35 3.85 -58.9 4 4 1 74 356.265 4

Activity (Go SEA)

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