UCSF

ZINC03929898

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 34 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) -1.12 -4.81 -81.27 4 12 -1 181 501.526 6
Lo Low (pH 4.5-6) -1.12 -4.56 -89.82 5 12 0 182 502.534 6

Activity (Go SEA)

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