UCSF

ZINC39301514

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 36 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) 4.38 10.08 -19.3 6 10 0 143 483.532 8
Mid Mid (pH 6-8) 4.38 10.14 -42.86 7 10 1 145 484.54 8
Mid Mid (pH 6-8) 4.38 10.16 -41.8 7 10 1 145 484.54 8

Activity (Go SEA)

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