UCSF

ZINC33859717

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 27 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) 1.70 4.54 -20.94 2 8 0 106 383.433 6
Hi High (pH 8-9.5) 1.88 2.89 -49.79 1 8 -1 112 382.425 6

Activity (Go SEA)

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