UCSF

ZINC40788045

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 24 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) 2.23 8.58 -16.86 1 6 0 65 322.368 5
Lo Low (pH 4.5-6) 2.23 9.05 -43.46 2 6 1 66 323.376 5

Activity (Go SEA)

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