UCSF

ZINC17146164

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 26 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) 2.99 8.84 -50.51 0 7 -1 106 371.756 4
Mid Mid (pH 6-8) 2.41 9.38 -21.62 0 7 0 100 372.764 4
Mid Mid (pH 6-8) 2.99 8.69 -13.3 1 7 0 103 372.764 4

Activity (Go SEA)

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