UCSF

ZINC23962367

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.90 8.88 -48.32 2 5 1 52 357.474 10
Hi High (pH 8-9.5) 2.90 6.41 -11.42 1 5 0 51 356.466 10

Activity (Go SEA)

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