UCSF

ZINC37052315

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 14 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) -0.82 2.83 -5.25 2 3 0 46 194.209 1
Mid Mid (pH 6-8) -0.82 3.14 -48.33 3 3 1 48 195.217 1
Mid Mid (pH 6-8) -0.82 3.15 -48.55 3 3 1 48 195.217 1

Activity (Go SEA)

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