UCSF

ZINC35598628

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 13 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) 1.77 2.61 -35.2 3 2 1 37 249.103 4
Hi High (pH 8-9.5) 1.77 1.17 -4.31 2 2 0 32 248.095 4

Activity (Go SEA)

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