UCSF

ZINC41219017

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 14 No

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) 1.10 3.24 -7.88 1 3 0 46 209.632 1
Ref Reference (pH 7) 1.10 3.24 -7.88 1 3 0 46 209.632 1
Mid Mid (pH 6-8) 1.28 0.69 -41.91 0 3 -1 52 208.624 1
Mid Mid (pH 6-8) 1.28 0.69 -41.92 0 3 -1 52 208.624 1

Activity (Go SEA)

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