UCSF

ZINC31934745

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 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) 4.03 8.26 -55.33 3 4 1 62 332.493 5
Hi High (pH 8-9.5) 4.49 7.21 -44.82 2 4 0 65 331.485 5
Hi High (pH 8-9.5) 4.03 6.84 -11.3 2 4 0 58 331.485 5

Activity (Go SEA)

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