UCSF

ZINC39381042

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 2.71 4.6 -13.4 3 5 0 81 318.427 3
Hi High (pH 8-9.5) 2.78 3.1 -48.38 2 5 -1 87 317.419 3
Mid Mid (pH 6-8) 2.71 4.99 -37.82 4 5 1 82 319.435 3

Activity (Go SEA)

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