UCSF

ZINC34652254

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 15 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) 3.69 8.12 -39.13 2 1 1 17 218.345 4
Hi High (pH 8-9.5) 3.69 6.76 -3.31 1 1 0 12 217.337 4

Activity (Go SEA)

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