UCSF

ZINC43708251

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2010 18 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) -0.05 4.63 -105.97 4 5 2 59 257.378 4
Hi High (pH 8-9.5) -0.05 3.28 -45.01 3 5 1 55 256.37 4
Hi High (pH 8-9.5) 0.14 1.27 -49.35 3 5 1 66 256.37 4

Activity (Go SEA)

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