UCSF

ZINC41514533

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 33 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) 4.75 10.4 -52.16 2 6 1 73 446.523 7
Hi High (pH 8-9.5) 4.75 8.85 -45.47 0 6 -1 75 444.507 7
Mid Mid (pH 6-8) 4.75 8.09 -10.21 1 6 0 72 445.515 7
Mid Mid (pH 6-8) 4.75 11.16 -35.11 1 6 0 76 445.515 7

Activity (Go SEA)

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