UCSF

ZINC04171422

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 24 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) 2.09 -0 -13.33 3 7 0 105 332.356 4
Mid Mid (pH 6-8) 2.09 0.75 -53.19 2 7 -1 108 331.348 4

Activity (Go SEA)

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