UCSF

ZINC19422305

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 19 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) 0.27 5.77 -65.34 1 5 -1 81 262.285 2
Hi High (pH 8-9.5) 0.27 6.5 -147.71 0 5 -2 83 261.277 2

Activity (Go SEA)

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