UCSF

ZINC04189114

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2005 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) 2.86 0.86 -14.77 1 7 0 78 405.454 7
Lo Low (pH 4.5-6) 2.86 1.14 -42.32 2 7 1 79 406.462 7

Activity (Go SEA)

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