UCSF

ZINC19844215

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 17 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) 0.28 4.02 -45.64 3 4 1 61 236.339 5
Hi High (pH 8-9.5) 0.28 3.74 -13.33 2 4 0 59 235.331 5
Lo Low (pH 4.5-6) 0.28 4.4 -86.88 4 4 2 62 237.347 5

Activity (Go SEA)

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