UCSF

ZINC49938238

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2010 16 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) 0.28 5.34 -126.09 3 4 2 41 229.368 5
Hi High (pH 8-9.5) 0.28 4.23 -41.18 2 4 1 37 228.36 5

Activity (Go SEA)

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