UCSF

ZINC20604098

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2008 29 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) 3.39 5.77 -12.03 1 6 0 62 417.575 7
Lo Low (pH 4.5-6) 3.39 6.5 -74.03 2 6 0 63 418.583 7

Activity (Go SEA)

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