UCSF

ZINC06131327

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 29 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) 6.40 10.47 -12.2 1 4 0 55 400.503 3
Lo Low (pH 4.5-6) 6.40 10.96 -30.78 2 4 1 56 401.511 3

Activity (Go SEA)

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