UCSF

ZINC33432366

Substance Information

In ZINC since Heavy atoms Benign functionality
July 9th, 2009 12 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) -4.82 -0.07 -59.65 4 6 -1 123 173.148 2
Hi High (pH 8-9.5) -4.82 -1.23 -103.09 3 6 -2 118 172.14 2

Activity (Go SEA)

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

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