UCSF

ZINC43426043

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 2.42 5.63 -50.11 0 5 -1 66 278.328 3
Mid Mid (pH 6-8) 2.42 7.82 -61.03 1 5 0 67 279.336 3

Activity (Go SEA)

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