UCSF

ZINC72468368

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2012 27 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) 3.21 11.03 -65.64 1 7 -1 100 363.397 8
Lo Low (pH 4.5-6) 3.21 11.5 -83.27 2 7 0 101 364.405 8

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.