UCSF

ZINC35456600

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 34 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) 3.33 12.27 -18.56 0 9 0 104 459.506 4
Mid Mid (pH 6-8) 3.33 12.59 -45.21 1 9 1 106 460.514 4

Activity (Go SEA)

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