UCSF

ZINC39296093

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 17 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) 2.81 11.41 -65.33 1 4 0 59 238.331 10
Mid Mid (pH 6-8) 2.81 10.9 -49.02 0 4 -1 58 237.323 10
Lo Low (pH 4.5-6) 2.81 9.43 -35.29 2 4 1 56 239.339 10

Activity (Go SEA)

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