UCSF

ZINC04171712

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 28 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.00 1.67 -40.37 0 9 -1 133 397.31 7
Mid Mid (pH 6-8) 3.18 1.75 -46.1 0 9 -1 133 397.31 7
Mid Mid (pH 6-8) 3.18 2.91 -41.98 0 9 -1 133 397.31 7
Mid Mid (pH 6-8) 3.00 1.63 -49.59 0 9 -1 133 397.31 7

Activity (Go SEA)

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