UCSF

ZINC34681125

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 36 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) 2.54 10.77 -22.38 1 9 0 93 490.56 8
Mid Mid (pH 6-8) 2.54 11.09 -54.02 2 9 1 94 491.568 8

Activity (Go SEA)

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