UCSF

ZINC41664453

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) 5.16 10.81 -14.29 0 5 0 52 413.473 5
Mid Mid (pH 6-8) 5.16 13.68 -45.69 1 5 1 53 414.481 5

Activity (Go SEA)

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