UCSF

ZINC39133098

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 13 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) 0.76 4.24 -87.85 5 3 2 58 181.283 2
Mid Mid (pH 6-8) 0.76 3.74 -49.79 4 3 1 56 180.275 2

Activity (Go SEA)

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