UCSF

ZINC21587693

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 20 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) 2.64 7.02 -18.35 2 5 0 71 290.392 6
Hi High (pH 8-9.5) 2.64 6.88 -43.59 1 5 -1 69 289.384 6

Activity (Go SEA)

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