UCSF

ZINC35500891

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 2.55 6.48 -44.75 2 4 1 48 350.236 3
Mid Mid (pH 6-8) 2.55 5.59 -7.14 1 4 0 43 349.228 3

Activity (Go SEA)

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