UCSF

ZINC31971308

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 21 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) -0.17 0.64 -70.38 5 7 1 104 294.331 5
Hi High (pH 8-9.5) -0.17 0.25 -23.99 4 7 0 103 293.323 5

Activity (Go SEA)

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