UCSF

ZINC31975595

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 22 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) 3.82 7.67 -52.39 3 4 1 54 316.812 4
Hi High (pH 8-9.5) 3.82 7.29 -9.22 2 4 0 53 315.804 4
Lo Low (pH 4.5-6) 3.82 8.09 -105.69 4 4 2 55 317.82 4

Activity (Go SEA)

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