UCSF

ZINC20596197

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2008 20 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) 3.30 3.4 -10.25 3 5 0 85 332.157 2
Mid Mid (pH 6-8) 2.84 4.68 -49.44 2 5 -1 83 331.149 1

Activity (Go SEA)

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