UCSF

ZINC59739462

Substance Information

In ZINC since Heavy atoms Benign functionality
March 9th, 2011 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 7.86 15.78 -138.2 1 5 -2 92 389.536 17
Lo Low (pH 4.5-6) 7.86 13.78 -61.84 2 5 -1 89 390.544 17
Lo Low (pH 4.5-6) 7.86 13.73 -56.2 2 5 -1 89 390.544 17

Activity (Go SEA)

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