UCSF

ZINC35422718

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 14 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) -0.74 4.35 -62.79 2 5 0 77 202.254 7
Hi High (pH 8-9.5) -0.74 3 -52.08 1 5 -1 72 201.246 7

Activity (Go SEA)

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