UCSF

ZINC34667608

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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 11.64 -15.03 1 6 0 66 468.479 5
Lo Low (pH 4.5-6) 3.95 11.97 -45.72 2 6 1 67 469.487 5

Activity (Go SEA)

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