UCSF

ZINC31995399

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 3.44 10.1 -107.03 3 3 2 30 318.505 4
Hi High (pH 8-9.5) 3.44 8.72 -40.74 2 3 1 29 317.497 4
Hi High (pH 8-9.5) 3.44 8.93 -34.94 2 3 1 26 317.497 4

Activity (Go SEA)

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