UCSF

ZINC61818498

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2011 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) 1.55 5.25 -115.07 4 3 2 45 224.348 3
Mid Mid (pH 6-8) 1.55 3.47 -44.05 3 3 1 44 223.34 3
Mid Mid (pH 6-8) 1.55 5.25 -28.36 3 3 1 44 223.34 3

Activity (Go SEA)

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