UCSF

ZINC15919965

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 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) 2.02 5.39 -58.44 1 5 -1 81 358.32 5
Mid Mid (pH 6-8) 2.47 4.35 -28.39 2 5 0 78 359.328 4
Mid Mid (pH 6-8) 1.44 5.39 -18.22 1 5 0 75 359.328 5

Activity (Go SEA)

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