UCSF

ZINC41639723

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 21 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) 3.59 4.66 -61.84 3 5 1 79 324.451 2
Mid Mid (pH 6-8) 3.59 3.27 -14.87 2 5 0 74 323.443 2
Mid Mid (pH 6-8) 2.66 4.19 -68.06 2 5 0 78 323.443 3

Activity (Go SEA)

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

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