UCSF

ZINC05445513

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2006 25 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) 3.24 7.46 -56.16 0 5 -1 70 401.236 4
Mid Mid (pH 6-8) 3.69 -0.27 -18.2 1 5 0 66 402.244 3
Mid Mid (pH 6-8) 2.66 -0.44 -11.51 0 5 0 63 402.244 4

Activity (Go SEA)

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