UCSF

ZINC36779335

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 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) 1.40 0.7 -43.25 5 3 1 68 210.297 3
Hi High (pH 8-9.5) 1.40 0.41 -4.37 4 3 0 66 209.289 3

Activity (Go SEA)

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