UCSF

ZINC19639278

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 29 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) 1.61 6.73 -49.67 1 7 1 63 399.515 6
Mid Mid (pH 6-8) 1.61 6.74 -47.31 1 7 1 63 399.515 6
Mid Mid (pH 6-8) 1.61 4.42 -8.59 0 7 0 62 398.507 6

Activity (Go SEA)

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