UCSF

ZINC66124252

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2011 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) 4.50 10.01 -51.29 1 5 0 58 376.382 4
Hi High (pH 8-9.5) 4.50 7.77 -43.08 0 5 -1 56 375.374 4

Activity (Go SEA)

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

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