UCSF

ZINC39231074

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 31 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) 4.52 12.3 -17.36 0 5 0 41 416.569 4
Mid Mid (pH 6-8) 4.52 12.7 -34.11 1 5 1 42 417.577 4
Lo Low (pH 4.5-6) 4.52 14.9 -109.31 2 5 2 43 418.585 4

Activity (Go SEA)

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