UCSF

ZINC31830267

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2009 22 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) 2.13 3.08 -69.06 4 6 1 84 309.386 5
Hi High (pH 8-9.5) 2.13 2.72 -11.83 3 6 0 83 308.378 5

Activity (Go SEA)

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