UCSF

ZINC04317755

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2005 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) 3.62 8.86 -12.88 1 5 0 53 357.841 4
Ref Reference (pH 7) 3.62 8.86 -13.07 1 5 0 53 357.841 4
Mid Mid (pH 6-8) 3.62 9.64 -23.17 2 5 0 54 358.849 4
Mid Mid (pH 6-8) 3.62 9.64 -22.91 2 5 0 54 358.849 4

Activity (Go SEA)

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