UCSF

ZINC06051472

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2006 25 No

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) 3.20 6.31 -19.87 2 7 0 88 386.235 4
Hi High (pH 8-9.5) 3.38 3.68 -53.42 1 7 -1 94 385.227 4

Activity (Go SEA)

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

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