UCSF

ZINC39542580

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2010 26 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) 3.09 7.22 -40.36 2 4 1 37 355.502 7
Mid Mid (pH 6-8) 3.09 7.1 -37.19 2 4 1 37 355.502 7
Mid Mid (pH 6-8) 3.09 5.02 -6.43 1 4 0 36 354.494 7

Activity (Go SEA)

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