UCSF

ZINC05733033

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 31 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) 4.36 11.63 -48.01 2 5 1 52 418.513 5
Mid Mid (pH 6-8) 4.36 9.44 -9.1 1 5 0 51 417.505 5

Activity (Go SEA)

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