UCSF

ZINC65536321

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2011 25 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) 0.45 9.63 -60.9 1 8 0 100 343.387 4
Hi High (pH 8-9.5) 0.45 7.12 -53.72 0 8 -1 98 342.379 4

Activity (Go SEA)

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

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