UCSF

ZINC15919961

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) 2.07 5.36 -57.87 1 5 -1 81 358.32 5
Mid Mid (pH 6-8) 2.52 4.31 -25.53 2 5 0 78 359.328 4
Mid Mid (pH 6-8) 1.49 5.32 -19.08 1 5 0 75 359.328 5

Activity (Go SEA)

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