UCSF

ZINC39266393

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 33 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) 4.52 11.84 -43.24 2 6 1 72 439.539 7
Hi High (pH 8-9.5) 4.71 9.81 -29.38 1 6 0 79 438.531 7

Activity (Go SEA)

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