UCSF

ZINC31947462

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 19 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) 0.83 6.08 -65.23 4 5 1 75 279.389 4
Hi High (pH 8-9.5) 0.83 5.71 -14.47 3 5 0 73 278.381 4

Activity (Go SEA)

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