UCSF

ZINC39750689

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2010 29 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) 1.39 7.48 -14.7 1 8 0 91 413.503 11
Lo Low (pH 4.5-6) 1.39 7.96 -46.36 2 8 1 92 414.511 11

Activity (Go SEA)

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