UCSF

ZINC20578967

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) 1.77 8.17 -50.89 2 7 1 67 393.515 5
Mid Mid (pH 6-8) 1.77 8.05 -55.81 2 7 1 67 393.515 5
Mid Mid (pH 6-8) 1.77 5.71 -16.25 1 7 0 66 392.507 5

Activity (Go SEA)

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