UCSF

ZINC16730184

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 36 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) 4.37 12.26 -50.23 0 8 -1 109 509.535 8
Mid Mid (pH 6-8) 4.82 10.44 -28.78 1 8 0 106 510.543 7
Mid Mid (pH 6-8) 3.79 11.43 -20.65 0 8 0 103 510.543 8

Activity (Go SEA)

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