UCSF

ZINC09421982

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 21 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) 2.96 -0.64 -17.65 2 4 0 57 279.343 5
Lo Low (pH 4.5-6) 2.96 -0.99 -33.75 3 4 1 59 280.351 5

Activity (Go SEA)

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

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