UCSF

ZINC39229651

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 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) 3.02 9.14 -50.8 3 6 1 71 403.506 6
Mid Mid (pH 6-8) 3.02 8.03 -9.45 2 6 0 66 402.498 6

Activity (Go SEA)

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