UCSF

ZINC10322451

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2007 29 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) 4.36 0.02 -18.37 1 6 0 64 385.423 5
Mid Mid (pH 6-8) 4.36 0.26 -36.75 2 6 1 66 386.431 5

Activity (Go SEA)

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