UCSF

ZINC41663650

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 35 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) 3.50 8.21 -16.22 0 8 0 85 474.513 5
Mid Mid (pH 6-8) 3.50 10.47 -51.06 1 8 1 87 475.521 5
Mid Mid (pH 6-8) 3.50 11.04 -51.67 1 8 1 87 475.521 5
Lo Low (pH 4.5-6) 3.50 13.31 -122.56 2 8 2 88 476.529 5

Activity (Go SEA)

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