UCSF

ZINC21704336

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 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) 3.65 7.81 -20.04 1 7 0 78 413.547 5
Hi High (pH 8-9.5) 3.47 6.48 -49.92 0 7 -1 85 412.539 5
Lo Low (pH 4.5-6) 3.65 9.88 -71.17 2 7 1 80 414.555 5

Activity (Go SEA)

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