UCSF

ZINC39679425

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 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) 3.95 9.48 -48.88 1 6 -1 92 376.388 4
Lo Low (pH 4.5-6) 3.95 7.53 -13.2 2 6 0 89 377.396 4

Activity (Go SEA)

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