UCSF

ZINC36160624

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) 1.50 2.17 -64.54 3 4 1 65 297.444 4
Lo Low (pH 4.5-6) 1.50 4.15 -145.85 4 4 2 66 298.452 4

Activity (Go SEA)

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