UCSF

ZINC31921759

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) 3.74 10.04 -12.44 0 3 0 41 265.291 2
Lo Low (pH 4.5-6) 3.74 10.44 -36.27 1 3 1 42 266.299 2

Activity (Go SEA)

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