UCSF

ZINC62946600

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2011 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) -0.25 -1.03 -93.22 1 8 -2 131 258.193 3
Lo Low (pH 4.5-6) -0.70 0.8 -53.34 2 8 -1 128 259.201 3

Activity (Go SEA)

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

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