UCSF

ZINC04187671

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 3.04 1.08 -10.05 1 5 0 59 372.403 5
Lo Low (pH 4.5-6) 3.04 1.19 -45.03 2 5 1 61 373.411 5

Activity (Go SEA)

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