UCSF

ZINC00588635

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 30 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) 5.65 1.79 -10.55 2 5 0 66 405.452 5
Mid Mid (pH 6-8) 6.14 1.94 -35.97 3 5 1 67 406.46 4

Activity (Go SEA)

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