UCSF

ZINC31947392

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 1.55 6.01 -65.24 4 6 1 84 331.421 5
Hi High (pH 8-9.5) 1.55 5.63 -15.04 3 6 0 82 330.413 5

Activity (Go SEA)

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