UCSF

ZINC41586544

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 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) 4.75 10.8 -43.82 2 6 1 77 413.469 7
Hi High (pH 8-9.5) 4.75 9.35 -48.38 0 6 -1 79 411.453 7
Hi High (pH 8-9.5) 4.75 11.57 -26.66 1 6 0 80 412.461 7
Mid Mid (pH 6-8) 4.75 8.59 -16.1 1 6 0 76 412.461 7

Activity (Go SEA)

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