UCSF

ZINC13427063

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 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 11.25 -11.48 0 6 0 74 479.598 7
Mid Mid (pH 6-8) 5.01 11.05 -12.04 0 6 0 74 479.598 7
Mid Mid (pH 6-8) 5.01 11.91 -13.98 0 6 0 74 479.598 7
Mid Mid (pH 6-8) 4.83 11.24 -14.19 0 6 0 74 479.598 7

Activity (Go SEA)

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