UCSF

ZINC35344339

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 32 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) 4.17 6.82 -17.39 3 8 0 105 465.457 7
Hi High (pH 8-9.5) 4.35 4.93 -44.28 2 8 -1 112 464.449 7

Activity (Go SEA)

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