UCSF

ZINC31965830

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) 1.34 5.68 -64.72 4 5 1 74 299.329 4
Lo Low (pH 4.5-6) 1.34 6.09 -98.01 5 5 2 75 300.337 4

Activity (Go SEA)

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