UCSF

ZINC41551601

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 3.94 10.58 -13.18 1 7 0 94 413.499 5
Hi High (pH 8-9.5) 4.01 9.52 -45.64 0 7 -1 101 412.491 5

Activity (Go SEA)

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