UCSF

ZINC33219206

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2009 28 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) 1.43 6.42 -14.94 2 7 0 93 379.416 3
Hi High (pH 8-9.5) 1.88 5.31 -45.95 1 7 -1 96 378.408 3

Activity (Go SEA)

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

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