UCSF

ZINC66927700

Substance Information

In ZINC since Heavy atoms Benign functionality
September 3rd, 2011 25 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) 0.04 -0.73 -21.49 3 9 0 133 360.399 5
Lo Low (pH 4.5-6) 0.04 -0.3 -52.84 4 9 1 134 361.407 5

Activity (Go SEA)

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

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