UCSF

ZINC58517709

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2011 10 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) -0.47 0.93 -49.17 3 3 1 53 156.234 2
Mid Mid (pH 6-8) -0.47 0.52 -8.94 2 3 0 52 155.226 2

Activity (Go SEA)

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

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