UCSF

ZINC35776102

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 25 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) 0.45 5.46 -51.39 2 7 1 66 355.503 8
Lo Low (pH 4.5-6) 0.45 7.4 -104.44 3 7 2 68 356.511 8

Activity (Go SEA)

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