UCSF

ZINC00799460

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 30 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) 5.27 12.12 -11.12 0 7 0 102 410.47 5
Mid Mid (pH 6-8) 5.45 11.91 -11.81 0 7 0 102 410.47 5
Mid Mid (pH 6-8) 5.45 12.75 -14.49 0 7 0 102 410.47 5
Mid Mid (pH 6-8) 5.27 12.11 -14.77 0 7 0 102 410.47 5

Activity (Go SEA)

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