UCSF

ZINC17146407

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 24 No

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) 2.94 8.42 -58.34 0 4 -1 60 324.331 3
Mid Mid (pH 6-8) 2.36 8.62 -12.74 0 4 0 54 325.339 3
Mid Mid (pH 6-8) 2.94 8.28 -12.24 1 4 0 58 325.339 3

Activity (Go SEA)

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