UCSF

ZINC35857569

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 36 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) 4.23 12.63 -17.46 1 6 0 72 489.591 8
Lo Low (pH 4.5-6) 4.23 12.99 -49.82 2 6 1 73 490.599 8

Activity (Go SEA)

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