UCSF

ZINC13464925

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 33 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) 1.88 11.83 -29.76 3 8 1 107 443.531 4
Lo Low (pH 4.5-6) 1.88 12.11 -86.2 4 8 2 108 444.539 4

Activity (Go SEA)

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