UCSF

ZINC34218822

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 18 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) 2.05 7.34 -41.03 2 5 1 62 250.322 5
Mid Mid (pH 6-8) 2.05 8.47 -137.52 3 5 2 67 251.33 5

Activity (Go SEA)

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