UCSF

ZINC42338181

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 0.93 5.87 -37.65 1 4 1 34 227.328 6
Hi High (pH 8-9.5) 0.93 3.59 -4.89 0 4 0 33 226.32 6

Activity (Go SEA)

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