UCSF

ZINC31960369

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) -0.71 -1.41 -54.57 5 7 1 94 280.352 6
Mid Mid (pH 6-8) -0.71 -1.8 -18.92 4 7 0 93 279.344 6
Mid Mid (pH 6-8) -0.71 0.92 -99.59 6 7 2 95 281.36 6

Activity (Go SEA)

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