UCSF

ZINC34008212

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2009 25 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) 2.87 7.6 -48.89 2 5 -1 98 351.463 12
Lo Low (pH 4.5-6) 2.87 5.62 -11.48 3 5 0 95 352.471 12

Activity (Go SEA)

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