UCSF

ZINC04382425

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2005 22 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) 5.53 10.72 -8.88 1 3 0 29 378.701 3
Lo Low (pH 4.5-6) 5.53 10.91 -84.06 3 3 2 35 380.717 3

Activity (Go SEA)

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