UCSF

ZINC39114373

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 13 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) 0.72 4.22 -50.01 2 3 1 37 183.275 1
Hi High (pH 8-9.5) 0.72 3.96 -8.08 1 3 0 32 182.267 1

Activity (Go SEA)

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