UCSF

ZINC03876696

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 14 No

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) 3.79 0.82 -4.39 0 1 0 9 210.342 6
Hi High (pH 8-9.5) 3.79 -0.14 -45.48 0 1 -1 9 209.334 6

Activity (Go SEA)

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