UCSF

ZINC35760416

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 38 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) 5.48 14.74 -37.28 3 6 1 75 523.682 6
Mid Mid (pH 6-8) 5.48 14.33 -21.23 2 6 0 74 522.674 6

Activity (Go SEA)

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