UCSF

ZINC31977674

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) 2.52 6.04 -37.17 3 4 1 43 278.42 5
Hi High (pH 8-9.5) 2.52 3.57 -4.49 2 4 0 42 277.412 5
Mid Mid (pH 6-8) 2.52 5.63 -37.8 3 4 1 43 278.42 5

Activity (Go SEA)

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