UCSF

ZINC43800779

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 21 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) -2.05 -3.37 -65.59 7 8 1 141 293.303 4
Hi High (pH 8-9.5) -2.05 -4.72 -23.31 6 8 0 137 292.295 4

Activity (Go SEA)

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