UCSF

ZINC34659200

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 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) 2.76 8.09 -36.56 2 4 1 46 344.273 7
Hi High (pH 8-9.5) 2.76 6.64 -10.03 1 4 0 42 343.265 7

Activity (Go SEA)

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