UCSF

ZINC41584345

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 32 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) 4.61 8.97 -9.67 1 6 0 72 439.552 10
Hi High (pH 8-9.5) 4.61 8.79 -43.61 0 6 -1 75 438.544 10
Mid Mid (pH 6-8) 4.61 10.23 -35.2 1 6 0 76 439.552 10
Mid Mid (pH 6-8) 4.61 9.47 -39.38 2 6 1 73 440.56 10

Activity (Go SEA)

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