UCSF

ZINC00701766

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 33 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 9.56 -15.73 1 5 0 58 464.541 9
Mid Mid (pH 6-8) 3.02 11.1 -58.35 2 5 1 59 465.549 9
Lo Low (pH 4.5-6) 3.02 11.56 -97.73 3 5 2 61 466.557 9

Activity (Go SEA)

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