UCSF

ZINC33862879

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 32 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) 4.40 10.09 -18.04 2 7 0 88 471.604 8
Mid Mid (pH 6-8) 4.40 10.2 -48.43 1 7 -1 90 470.596 8

Activity (Go SEA)

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