UCSF

ZINC31994429

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 13 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) 1.33 5.97 -97.24 3 2 2 21 182.311 2
Hi High (pH 8-9.5) 1.33 3.59 -40.46 2 2 1 20 181.303 2
Hi High (pH 8-9.5) 1.33 4.55 -34.21 2 2 1 16 181.303 2

Activity (Go SEA)

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