UCSF

ZINC31909494

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 25 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) 4.03 10.1 -39.42 3 4 1 48 337.491 5
Mid Mid (pH 6-8) 4.03 8.04 -10.5 2 4 0 47 336.483 5
Lo Low (pH 4.5-6) 4.03 10.51 -85.07 4 4 2 49 338.499 5

Activity (Go SEA)

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