UCSF

ZINC31965447

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) -2.16 2.65 -70.79 3 8 -1 130 317.325 6
Lo Low (pH 4.5-6) -2.16 3.05 -73.73 4 8 0 131 318.333 6

Activity (Go SEA)

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