UCSF

ZINC43968549

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 1.01 2.73 -34.64 2 5 1 48 273.397 6
Hi High (pH 8-9.5) 1.01 1.97 -3.05 1 5 0 43 272.389 6
Hi High (pH 8-9.5) 1.01 3.88 -31.73 2 5 1 44 273.397 6

Activity (Go SEA)

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