UCSF

ZINC21869712

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 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) 2.80 10.92 -60.94 2 5 1 54 394.539 6
Hi High (pH 8-9.5) 2.80 8.54 -17.12 1 5 0 53 393.531 6

Activity (Go SEA)

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