UCSF

ZINC04157696

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 25 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) 4.63 -2.84 -8.97 2 4 0 49 394.272 4
Mid Mid (pH 6-8) 4.63 -2.66 -31.8 3 4 1 50 395.28 4

Activity (Go SEA)

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