UCSF

ZINC35337829

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 33 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.88 9.95 -16.54 1 7 0 88 485.631 7
Hi High (pH 8-9.5) 4.88 9.97 -54.46 0 7 -1 90 484.623 7
Mid Mid (pH 6-8) 4.88 10.37 -38.52 2 7 1 90 486.639 7

Activity (Go SEA)

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