UCSF

ZINC35393983

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 26 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) 3.41 11.25 -33.53 2 6 1 63 419.347 2
Mid Mid (pH 6-8) 3.41 10.86 -8.94 1 6 0 61 418.339 2

Activity (Go SEA)

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