UCSF

ZINC22056134

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 30 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) 3.17 8.72 -115.54 5 8 2 101 445.98 5
Hi High (pH 8-9.5) 3.17 7.04 -18.69 3 8 0 95 443.964 5
Mid Mid (pH 6-8) 3.17 8.46 -61.23 4 8 1 100 444.972 5
Lo Low (pH 4.5-6) 3.17 9.1 -98.33 5 8 2 101 445.98 5

Activity (Go SEA)

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