UCSF

ZINC12384674

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 34 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) 4.83 11.43 -14.57 0 6 0 74 479.598 7
Mid Mid (pH 6-8) 5.01 11.14 -13.93 0 6 0 74 479.598 7
Mid Mid (pH 6-8) 5.01 11.98 -28.3 0 6 0 74 479.598 7
Mid Mid (pH 6-8) 4.83 11.35 -16.05 0 6 0 74 479.598 7

Activity (Go SEA)

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