UCSF

ZINC36789187

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 13 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) 1.72 4.2 -90.93 5 3 2 56 187.331 7
Mid Mid (pH 6-8) -1.45 4.36 -28.18 5 3 1 56 186.323 7

Activity (Go SEA)

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