UCSF

ZINC64550044

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 31 No

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) -0.48 8.16 -60.81 2 10 -1 135 436.395 6
Lo Low (pH 4.5-6) -0.48 6.15 -14.84 3 10 0 132 437.403 6

Activity (Go SEA)

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

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