UCSF

ZINC33816382

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 21 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) 5.00 6.56 -8.79 2 3 0 49 360.129 3
Hi High (pH 8-9.5) 5.00 7.57 -45.54 1 3 -1 52 359.121 3

Activity (Go SEA)

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