UCSF

ZINC22938894

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 24 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) 3.88 9.06 -342.61 8 4 4 66 344.632 15
Hi High (pH 8-9.5) 3.88 6.63 -96.77 6 4 2 57 342.616 15
Hi High (pH 8-9.5) 3.88 6.46 -35.17 5 4 1 53 341.608 15
Mid Mid (pH 6-8) 3.88 7.75 -205.19 7 4 3 62 343.624 15

Activity (Go SEA)

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