UCSF

ZINC43401963

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 15 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) 0.43 1.51 -97.85 4 5 2 71 212.297 3
Hi High (pH 8-9.5) 0.43 1.24 -38.24 3 5 1 69 211.289 3

Activity (Go SEA)

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