UCSF

ZINC51446823

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2010 20 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) 2.48 6.94 -40.85 2 4 1 42 278.42 6
Hi High (pH 8-9.5) 2.48 5.49 -4.09 1 4 0 37 277.412 6
Mid Mid (pH 6-8) 2.48 7.43 -97.67 3 4 2 43 279.428 6

Activity (Go SEA)

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