UCSF

ZINC31947410

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) 1.10 6.65 -66.54 4 5 1 75 291.4 5
Hi High (pH 8-9.5) 1.10 6.27 -14.84 3 5 0 73 290.392 5

Activity (Go SEA)

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