UCSF

ZINC35761840

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 26 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) 2.71 7.49 -13.43 1 5 0 53 357.498 6
Lo Low (pH 4.5-6) 2.71 9.58 -46.8 2 5 1 54 358.506 6

Activity (Go SEA)

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