UCSF

ZINC39229067

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2010 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) 1.51 9.24 -11.41 0 5 0 49 334.423 3
Lo Low (pH 4.5-6) 1.51 9.7 -40.49 1 5 1 51 335.431 3

Activity (Go SEA)

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