UCSF

ZINC02507912

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 8 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) -2.34 -0.19 -101.27 1 5 -2 92 117.06 2
Lo Low (pH 4.5-6) -2.34 -2.13 -39.36 2 5 -1 89 118.068 2

Activity (Go SEA)

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

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