UCSF

ZINC59192841

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 17 No

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) 5.09 8.81 -4.31 2 2 0 39 252.427 9
Lo Low (pH 4.5-6) 5.09 9.29 -28.59 3 2 1 40 253.435 9

Activity (Go SEA)

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