UCSF

ZINC43800118

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 19 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) 0.00 3.82 -84.84 3 6 0 95 264.281 4
Hi High (pH 8-9.5) 0.00 2.47 -52.1 2 6 -1 90 263.273 4

Activity (Go SEA)

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