UCSF

ZINC52382549

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 15 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) 0.04 -0.21 -46.35 3 4 1 53 228.341 3
Mid Mid (pH 6-8) 0.04 -0.61 -6.32 2 4 0 51 227.333 3
Lo Low (pH 4.5-6) 0.04 2.08 -97 4 4 2 54 229.349 3

Activity (Go SEA)

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

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