UCSF

ZINC25088161

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 23 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) 1.05 4.69 -15.96 2 8 0 110 360.461 9
Hi High (pH 8-9.5) 1.23 3.64 -40.31 1 8 -1 117 359.453 9

Activity (Go SEA)

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