UCSF

ZINC49409893

Substance Information

In ZINC since Heavy atoms Benign functionality
September 28th, 2010 30 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) 4.14 5.81 -47.2 0 8 -1 94 426.522 4
Lo Low (pH 4.5-6) 3.68 7.44 -11.23 1 8 0 91 427.53 4

Activity (Go SEA)

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

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