UCSF

ZINC41664348

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 5.21 10.75 -14.17 0 5 0 52 413.473 5
Mid Mid (pH 6-8) 5.21 13.62 -51.09 1 5 1 53 414.481 5

Activity (Go SEA)

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