UCSF

ZINC21698258

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 28 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) 2.68 9.41 -43.44 3 6 1 68 399.902 6
Hi High (pH 8-9.5) 2.68 7.4 -7.84 2 6 0 66 398.894 6
Hi High (pH 8-9.5) 2.87 6.63 -48.61 1 6 -1 73 397.886 6

Activity (Go SEA)

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