UCSF

ZINC31997466

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) 1.43 4.92 -51.05 3 2 1 41 199.277 3
Lo Low (pH 4.5-6) 1.43 5.36 -87.66 4 2 2 42 200.285 3

Activity (Go SEA)

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