UCSF

ZINC40047883

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 30 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) 1.41 2.44 -61.56 2 8 -1 119 412.418 8
Lo Low (pH 4.5-6) 1.41 1.69 -17.57 3 8 0 117 413.426 8

Activity (Go SEA)

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