UCSF

ZINC19855303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 2.82 7.5 -9.94 2 4 0 47 278.359 1
Mid Mid (pH 6-8) 2.82 7.93 -28.33 3 4 1 48 279.367 1

Activity (Go SEA)

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