UCSF

ZINC26268424

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 38 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
Mid Mid (pH 6-8) 1.11 2.65 -137.53 5 10 -2 187 518.522 3
Mid Mid (pH 6-8) 1.11 4.77 -116.85 6 10 -1 188 519.53 3

Activity (Go SEA)

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