UCSF

ZINC69627449

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2011 24 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) -0.03 3.48 -43.9 2 7 1 66 339.46 6
Hi High (pH 8-9.5) -0.03 1.12 -15.19 1 7 0 65 338.452 6

Activity (Go SEA)

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