UCSF

ZINC33770437

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 34 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) 3.40 8.78 -16.31 2 8 0 93 480.59 9
Lo Low (pH 4.5-6) 3.40 9.21 -49.72 3 8 1 94 481.598 9

Activity (Go SEA)

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