UCSF

ZINC34889898

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 31 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) 4.54 8.33 -46.08 2 7 1 76 479.413 6
Mid Mid (pH 6-8) 4.54 5.98 -11.33 1 7 0 74 478.405 6

Activity (Go SEA)

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