UCSF

ZINC12652870

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2008 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) 7.15 11.15 -50.47 0 3 -1 49 405.93 5
Mid Mid (pH 6-8) 6.70 12.51 -20.04 1 3 0 46 406.938 5

Activity (Go SEA)

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