UCSF

ZINC31934856

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) 1.95 6.37 -51.74 3 4 1 62 276.385 3
Hi High (pH 8-9.5) 2.41 5.35 -42.37 2 4 0 65 275.377 3

Activity (Go SEA)

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