UCSF

ZINC35868009

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 25 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) 2.61 7.93 -49.93 2 5 1 49 360.551 4
Hi High (pH 8-9.5) 2.61 6.61 -5.67 1 5 0 44 359.543 4

Activity (Go SEA)

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