UCSF

ZINC22205026

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 29 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) 4.16 6.98 -40.52 3 7 0 112 388.379 3
Hi High (pH 8-9.5) 4.16 8.8 -133.01 1 7 -2 118 386.363 3
Mid Mid (pH 6-8) 4.16 8 -94.32 2 7 -1 115 387.371 3

Activity (Go SEA)

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