UCSF

ZINC41586407

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 5.08 13.2 -45.72 2 6 1 81 448.539 7
Hi High (pH 8-9.5) 5.08 11.51 -45.16 0 6 -1 83 446.523 7
Mid Mid (pH 6-8) 5.08 10.94 -11.76 1 6 0 80 447.531 7
Mid Mid (pH 6-8) 5.08 13.76 -29.48 1 6 0 84 447.531 7

Activity (Go SEA)

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