UCSF

ZINC35744210

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 31 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) 3.30 8.08 -13.46 2 6 0 82 435.549 7
Lo Low (pH 4.5-6) 3.30 10.29 -52.05 3 6 1 84 436.557 7

Activity (Go SEA)

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