UCSF

ZINC43423668

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 16 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) 0.79 0.81 -48.97 3 3 1 40 239.261 3
Hi High (pH 8-9.5) 0.79 0.55 -2.62 2 3 0 38 238.253 3

Activity (Go SEA)

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