UCSF

ZINC13723877

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 31 No

Download: MOL2 SDF SMILES Flexibase

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) 2.57 9.96 -73.63 1 7 0 83 428.46 8
Hi High (pH 8-9.5) 2.57 7.42 -64.58 0 7 -1 82 427.452 8
Mid Mid (pH 6-8) 3.01 8.59 -55.47 2 7 1 81 429.468 7
Mid Mid (pH 6-8) 1.98 9.78 -56.5 1 7 1 77 429.468 8

Activity (Go SEA)

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