UCSF

ZINC33758363

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 29 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) 5.35 12.79 -11.76 1 4 0 47 405.498 6
Lo Low (pH 4.5-6) 5.35 13.25 -35.49 2 4 1 48 406.506 6

Activity (Go SEA)

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