UCSF

ZINC33811733

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 24 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) 3.25 6.24 -7.76 0 4 0 41 407.333 2
Lo Low (pH 4.5-6) 3.25 8.57 -45.19 1 4 1 42 408.341 2

Activity (Go SEA)

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