UCSF

ZINC39688922

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 28 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) -0.99 6.07 -107.64 4 8 2 98 384.484 4
Mid Mid (pH 6-8) -0.99 5.6 -50.48 3 8 1 97 383.476 4

Activity (Go SEA)

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