UCSF

ZINC20138378

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 35 Yes

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) 4.76 12.39 -59.96 3 5 1 54 469.653 8
Hi High (pH 8-9.5) 4.76 12 -13.9 2 5 0 49 468.645 8
Mid Mid (pH 6-8) 4.76 13.44 -40.33 3 5 1 50 469.653 8
Lo Low (pH 4.5-6) 4.76 15.07 -136.01 4 5 2 55 470.661 8

Activity (Go SEA)

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