UCSF

ZINC33781748

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 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) 4.07 7.46 -45.09 2 7 1 76 462.958 6
Mid Mid (pH 6-8) 4.07 5.11 -9 1 7 0 74 461.95 6

Activity (Go SEA)

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