UCSF

ZINC20852878

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 31 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) 3.94 11.48 -24.51 1 9 0 127 477.285 5
Hi High (pH 8-9.5) 4.12 10.42 -55.92 0 9 -1 133 476.277 5

Activity (Go SEA)

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