UCSF

ZINC34949390

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 29 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) 4.64 9.18 -9.54 1 5 0 45 440.346 7
Mid Mid (pH 6-8) 4.64 11.44 -38.94 2 5 1 46 441.354 7

Activity (Go SEA)

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