UCSF

ZINC15109802

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2008 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) 1.44 3.75 -57.03 1 6 -1 94 344.318 6
Mid Mid (pH 6-8) 1.88 2.67 -29.59 2 6 0 91 345.326 5
Mid Mid (pH 6-8) 0.85 3.73 -19.91 1 6 0 88 345.326 6

Activity (Go SEA)

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