UCSF

ZINC36765931

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 4.12 8.66 -27.74 3 3 1 45 321.242 2
Mid Mid (pH 6-8) 4.12 8.54 -6.17 2 3 0 44 320.234 2

Activity (Go SEA)

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