UCSF

ZINC33920068

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2009 31 No

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) -0.21 7.79 -60.3 2 8 0 128 442.493 6
Mid Mid (pH 6-8) -0.21 6.73 -61.36 1 8 -1 124 441.485 6

Activity (Go SEA)

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