UCSF

ZINC39301488

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 5.14 12.13 -13.25 5 8 0 114 446.555 7
Mid Mid (pH 6-8) 5.14 12.19 -36.38 6 8 1 115 447.563 7
Mid Mid (pH 6-8) 5.14 12.09 -35.21 6 8 1 115 447.563 7

Activity (Go SEA)

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