UCSF

ZINC16003185

Substance Information

In ZINC since Heavy atoms Benign functionality
August 5th, 2008 29 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) 3.92 13.63 -60.75 2 7 1 92 409.491 5
Hi High (pH 8-9.5) 3.98 10.26 -57.45 0 7 -1 97 407.475 5
Mid Mid (pH 6-8) 3.92 11.17 -28.42 1 7 0 91 408.483 5
Mid Mid (pH 6-8) 3.98 12.65 -65.61 1 7 0 99 408.483 5

Activity (Go SEA)

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