UCSF

ZINC41655649

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.39 7.7 -12.45 0 7 0 78 421.449 5
Lo Low (pH 4.5-6) 3.39 10.5 -50.84 1 7 1 79 422.457 5

Activity (Go SEA)

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