UCSF

ZINC04381650

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 28 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) 6.38 13.46 -7.32 1 3 0 29 387.449 4
Mid Mid (pH 6-8) 6.38 13.9 -26.15 2 3 1 31 388.457 4

Activity (Go SEA)

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