UCSF

ZINC04417688

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2005 38 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) 7.27 2.17 -10.65 0 6 0 74 517.666 11
Mid Mid (pH 6-8) 7.27 2.16 -13.98 0 6 0 74 517.666 11
Mid Mid (pH 6-8) 7.45 1.12 -11.43 0 6 0 74 517.666 11

Activity (Go SEA)

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