UCSF

ZINC41514732

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 27 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) 4.66 10.52 -41.37 2 4 1 51 363.412 5
Hi High (pH 8-9.5) 4.66 8.73 -40.62 0 4 -1 52 361.396 5
Mid Mid (pH 6-8) 4.66 8.17 -9.93 1 4 0 49 362.404 5
Mid Mid (pH 6-8) 4.66 11.08 -22.25 1 4 0 54 362.404 5

Activity (Go SEA)

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