UCSF

ZINC31890197

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 14 No

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 6.91 -5.71 0 1 0 13 221.35 2
Hi High (pH 8-9.5) 3.74 7.39 -48.94 0 1 -1 13 220.342 2

Activity (Go SEA)

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