UCSF

ZINC40125374

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 31 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) 4.30 9.12 -54.97 1 5 -1 78 416.428 6
Lo Low (pH 4.5-6) 4.30 8.35 -12.37 2 5 0 76 417.436 6

Activity (Go SEA)

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