UCSF

ZINC07057501

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2006 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) 3.33 -1.32 -11.02 1 4 0 69 286.356 4
Hi High (pH 8-9.5) 3.33 -0.75 -40.54 0 4 -1 72 285.348 4

Activity (Go SEA)

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