UCSF

ZINC33741065

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2009 26 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) 4.00 9.57 -26.75 1 6 0 75 437.363 4
Hi High (pH 8-9.5) 4.19 8.5 -56.76 0 6 -1 82 436.355 4

Activity (Go SEA)

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