UCSF

ZINC33797083

Substance Information

In ZINC since Heavy atoms Benign functionality
July 19th, 2009 33 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) 6.90 14.31 -30.37 2 6 1 70 446.571 8
Mid Mid (pH 6-8) 6.90 13.91 -21.46 1 6 0 69 445.563 8
Mid Mid (pH 6-8) 6.90 14.31 -50.36 2 6 1 73 446.571 8
Lo Low (pH 4.5-6) 6.90 14.71 -101.53 3 6 2 75 447.579 8

Activity (Go SEA)

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