UCSF

ZINC31936452

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 20 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) 3.51 9.6 -15.38 0 3 0 42 265.291 3
Lo Low (pH 4.5-6) 3.51 10 -46.55 1 3 1 43 266.299 3

Activity (Go SEA)

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