UCSF

ZINC41584234

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 29 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 6.32 11.28 -40.58 2 4 1 51 407.456 9
Mid Mid (pH 6-8) 6.32 11.94 -21.59 1 4 0 54 406.448 9

Activity (Go SEA)

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