UCSF

ZINC41652600

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 27 No

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) 3.27 6.51 -9.22 0 5 0 52 369.392 5
Lo Low (pH 4.5-6) 3.27 9.37 -49.72 1 5 1 53 370.4 5

Activity (Go SEA)

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