UCSF

ZINC31995087

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) 4.30 10.88 -102.97 3 2 2 21 288.479 5
Hi High (pH 8-9.5) 4.30 8.39 -40.67 2 2 1 20 287.471 5
Hi High (pH 8-9.5) 4.30 9.46 -36.51 2 2 1 16 287.471 5

Activity (Go SEA)

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