UCSF

ZINC06314187

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 27 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) 2.00 7.08 -36.81 0 6 -1 83 385.827 7
Mid Mid (pH 6-8) 1.41 7.17 -18.35 0 6 0 77 386.835 7
Mid Mid (pH 6-8) 2.44 6.13 -27.35 1 6 0 80 386.835 6

Activity (Go SEA)

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