UCSF

ZINC62862192

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2011 17 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) 2.74 5.99 -38.9 3 2 1 29 253.435 6
Lo Low (pH 4.5-6) 2.74 7.09 -115.59 4 2 2 33 254.443 6

Activity (Go SEA)

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

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