UCSF

ZINC38728947

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 31 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.71 16.36 -50.43 1 4 1 30 414.573 6
Hi High (pH 8-9.5) 5.71 14.52 -8.91 0 4 0 28 413.565 6

Activity (Go SEA)

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