UCSF

ZINC13431062

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 29 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) -4.48 -7.09 -367.39 4 17 -4 282 479.124 8
Mid Mid (pH 6-8) -4.48 -8.24 -231.73 5 17 -3 279 480.132 8

Activity (Go SEA)

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