UCSF

ZINC20260124

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 0.17 2.97 -45.35 3 3 1 40 235.351 4
Hi High (pH 8-9.5) 0.17 2.18 -2.79 2 3 0 38 234.343 4
Lo Low (pH 4.5-6) 0.17 4.88 -133.46 4 3 2 41 236.359 4

Activity (Go SEA)

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