UCSF

ZINC28754121

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 21 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) 0.76 4.52 -10.71 1 6 0 72 285.351 4
Lo Low (pH 4.5-6) 0.76 6.68 -47.49 2 6 1 73 286.359 4

Activity (Go SEA)

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