UCSF

ZINC36880765

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) -0.73 -1.4 -50.84 4 5 1 77 222.334 3
Hi High (pH 8-9.5) -0.73 -1.45 -55.84 3 5 0 79 221.326 3

Activity (Go SEA)

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