UCSF

ZINC41541112

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 23 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) 2.02 6.13 -56.11 0 5 -1 74 314.292 3
Lo Low (pH 4.5-6) 2.02 5.38 -13.49 1 5 0 71 315.3 3

Activity (Go SEA)

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