UCSF

ZINC41586370

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 30 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) 3.58 10.35 -44.6 2 7 1 94 412.462 6
Hi High (pH 8-9.5) 3.58 8.9 -48.27 0 7 -1 96 410.446 6
Mid Mid (pH 6-8) 3.58 11.12 -30.73 1 7 0 97 411.454 6
Mid Mid (pH 6-8) 3.58 8.14 -12.16 1 7 0 93 411.454 6

Activity (Go SEA)

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