UCSF

ZINC43445215

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 1.23 3.13 -108.78 5 3 2 52 230.396 8
Hi High (pH 8-9.5) 1.23 2.74 -34.96 4 3 1 51 229.388 8
Hi High (pH 8-9.5) 1.23 1.17 -43.18 4 3 1 51 229.388 8

Activity (Go SEA)

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