UCSF

ZINC43800326

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) -1.04 5.13 -49.65 2 6 0 86 264.281 4
Hi High (pH 8-9.5) -1.04 3.76 -46.08 1 6 -1 82 263.273 4

Activity (Go SEA)

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