UCSF

ZINC33887945

Substance Information

In ZINC since Heavy atoms Benign functionality
July 31st, 2009 32 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) 2.07 12.32 -40.83 2 7 0 118 437.54 7
Hi High (pH 8-9.5) 2.07 11.41 -47.81 1 7 -1 113 436.532 7

Activity (Go SEA)

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