UCSF

ZINC41514560

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 31 No

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) 4.76 11.49 -46.92 2 5 1 64 416.497 6
Hi High (pH 8-9.5) 4.76 9.69 -43.74 0 5 -1 66 414.481 6
Mid Mid (pH 6-8) 4.76 12.05 -29.41 1 5 0 67 415.489 6
Mid Mid (pH 6-8) 4.76 9.13 -9.93 1 5 0 63 415.489 6

Activity (Go SEA)

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