UCSF

ZINC68909485

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2011 16 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) 1.12 4.64 -33.45 2 3 1 28 225.356 3
Mid Mid (pH 6-8) 1.12 6.18 -102.23 3 3 2 29 226.364 3
Mid Mid (pH 6-8) 1.12 4.21 -30.07 2 3 1 28 225.356 3

Activity (Go SEA)

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

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