UCSF

ZINC39716692

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2010 33 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) 6.33 11.01 -17.67 1 6 0 81 497.667 6
Mid Mid (pH 6-8) 6.33 11.03 -64.14 0 6 -1 83 496.659 6

Activity (Go SEA)

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