UCSF

ZINC34682817

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 30 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) 3.78 12.13 -38.44 1 5 1 47 402.518 6
Hi High (pH 8-9.5) 3.78 9.86 -10.78 0 5 0 46 401.51 6

Activity (Go SEA)

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