UCSF

ZINC70189696

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2011 19 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) 2.55 9.48 -162.4 4 3 3 25 270.485 6
Mid Mid (pH 6-8) 2.55 7.16 -90.98 3 3 2 24 269.477 6
Mid Mid (pH 6-8) 2.55 7.23 -77.28 3 3 2 24 269.477 6

Activity (Go SEA)

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

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