UCSF

ZINC39320841

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 18 Yes

Other Names:

MFCD09953191

OT-2262

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) 0.94 3.51 -52.85 2 4 1 54 269.39 3
Hi High (pH 8-9.5) 0.94 2.2 -10.12 1 4 0 49 268.382 3

Activity (Go SEA)

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