UCSF

ZINC35804879

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 32 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) 3.07 9.38 -18.2 1 7 0 65 458.628 10
Mid Mid (pH 6-8) 3.07 11.65 -48.4 2 7 1 66 459.636 10

Activity (Go SEA)

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