UCSF

ZINC41586475

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 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) 3.20 10.05 -44.48 2 7 1 94 398.435 6
Hi High (pH 8-9.5) 3.20 8.37 -45.68 0 7 -1 96 396.419 6
Mid Mid (pH 6-8) 3.20 10.61 -29.93 1 7 0 97 397.427 6
Mid Mid (pH 6-8) 3.20 7.78 -13.05 1 7 0 93 397.427 6

Activity (Go SEA)

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