UCSF

ZINC43630425

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 26 Yes

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) 3.22 7.04 -14.69 2 6 0 65 360.502 6
Lo Low (pH 4.5-6) 3.22 9.18 -52.77 3 6 1 66 361.51 6

Activity (Go SEA)

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