UCSF

ZINC01786867

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 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) 3.26 -6.46 -18.52 3 8 0 113 413.503 8
Hi High (pH 8-9.5) 3.26 -6.1 -50.24 2 8 -1 115 412.495 8

Activity (Go SEA)

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

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