UCSF

ZINC35785075

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 17 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) 3.15 10.12 -41.05 1 2 1 9 229.347 2
Hi High (pH 8-9.5) 3.15 7.82 -4.22 0 2 0 8 228.339 2

Activity (Go SEA)

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