UCSF

ZINC04282336

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 25 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) 2.75 4.48 -14.83 2 6 0 89 340.331 1
Hi High (pH 8-9.5) 3.01 4.86 -48.71 1 6 -1 92 339.323 1

Activity (Go SEA)

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