UCSF

ZINC19884002

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 33 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) 1.47 7.25 -81.71 1 9 0 115 475.567 9
Lo Low (pH 4.5-6) 1.47 6.42 -59.73 2 9 1 113 476.575 9

Activity (Go SEA)

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