UCSF

ZINC48374020

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 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) 1.71 6.07 -33.85 1 3 1 23 224.324 8
Hi High (pH 8-9.5) 1.71 3.85 -5.49 0 3 0 22 223.316 8

Activity (Go SEA)

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