UCSF

ZINC40068350

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2010 25 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) 1.76 5.09 -65.26 1 6 -1 94 338.339 6
Mid Mid (pH 6-8) 1.76 4.19 -16.91 2 6 0 91 339.347 6

Activity (Go SEA)

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