UCSF

ZINC25562090

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 28 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) 3.84 7.45 -50.44 1 6 -1 90 432.934 6
Hi High (pH 8-9.5) 3.91 6.53 -101.12 0 6 -2 97 431.926 6
Mid Mid (pH 6-8) 3.84 7.38 -18.31 2 6 0 88 433.942 6

Activity (Go SEA)

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