UCSF

ZINC34994290

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 2.85 5.62 -44.5 2 4 1 42 277.388 8
Hi High (pH 8-9.5) 2.85 4.25 -7.19 1 4 0 38 276.38 8
Mid Mid (pH 6-8) 2.85 7.69 -119.09 3 4 2 43 278.396 8
Mid Mid (pH 6-8) 2.85 6.37 -37.72 2 4 1 39 277.388 8

Activity (Go SEA)

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