UCSF

ZINC33889874

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 34 No

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) -0.95 7.25 -61.33 1 9 -1 147 480.522 7
Lo Low (pH 4.5-6) -0.95 7.66 -45.83 2 9 0 152 481.53 7

Activity (Go SEA)

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