UCSF

ZINC23004992

Substance Information

In ZINC since Heavy atoms Benign functionality
December 23rd, 2008 25 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) 3.54 8.27 -8.23 0 4 0 33 379.287 4
Mid Mid (pH 6-8) 3.54 10.54 -45.09 1 4 1 34 380.295 4

Activity (Go SEA)

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