UCSF

ZINC49628909

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 19 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) 3.21 7.98 -48.82 0 3 -1 53 280.275 4
Lo Low (pH 4.5-6) 3.21 8.43 -49.27 1 3 0 54 281.283 4

Activity (Go SEA)

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

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