UCSF

ZINC19410901

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 16 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) 0.39 4.03 -94.03 4 4 2 50 227.352 4
Hi High (pH 8-9.5) 0.39 1.8 -37.64 3 4 1 49 226.344 4
Hi High (pH 8-9.5) 0.39 2.73 -42.29 3 4 1 46 226.344 4

Activity (Go SEA)

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