UCSF

ZINC05944438

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2006 22 No

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) 4.18 6.69 -13.82 2 7 0 108 319.704 4
Hi High (pH 8-9.5) 4.18 7.68 -50.68 1 7 -1 110 318.696 4

Activity (Go SEA)

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