UCSF

ZINC37080952

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 9 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) -0.09 3.19 -109.51 4 2 2 32 130.235 3
Mid Mid (pH 6-8) -0.09 1.23 -35.81 3 2 1 31 129.227 3
Mid Mid (pH 6-8) -0.09 2.87 -28.7 3 2 1 30 129.227 3

Activity (Go SEA)

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