UCSF

ZINC60029654

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 14 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) -0.63 7.37 -74.66 2 4 1 49 201.29 5
Hi High (pH 8-9.5) -0.63 5.54 -56.93 1 4 0 48 200.282 5
Mid Mid (pH 6-8) -0.63 4.88 -30.06 1 4 0 48 200.282 5

Activity (Go SEA)

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