UCSF

ZINC33854754

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 31 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) 4.41 5.81 -11.67 1 9 0 120 457.386 5
Hi High (pH 8-9.5) 4.86 3.21 -42.47 0 9 -1 123 456.378 5

Activity (Go SEA)

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

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