UCSF

ZINC41664409

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 Yes

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) 5.31 11.67 -11.14 0 4 0 43 383.447 3
Lo Low (pH 4.5-6) 5.31 14.14 -40.91 1 4 1 44 384.455 3

Activity (Go SEA)

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