UCSF

ZINC37040042

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.32 0.44 -55.5 5 6 1 103 250.278 3
Mid Mid (pH 6-8) 0.77 -1.78 -80.39 4 6 0 106 249.27 3

Activity (Go SEA)

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