UCSF

ZINC11839618

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2008 36 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) 2.24 -2.76 -18.96 2 8 0 100 486.572 6
Lo Low (pH 4.5-6) 2.24 -2.69 -53.13 3 8 1 102 487.58 6

Activity (Go SEA)

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

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