UCSF

ZINC03945797

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2005 31 Yes

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) 2.12 -1.37 -17.57 1 7 0 84 413.481 7
Lo Low (pH 4.5-6) 2.12 -1.24 -43.46 2 7 1 85 414.489 7

Activity (Go SEA)

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