UCSF

ZINC24215191

Substance Information

In ZINC since Heavy atoms Benign functionality
January 15th, 2009 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) 3.00 -2.45 -17.74 6 9 0 157 426.377 4
Hi High (pH 8-9.5) 3.00 -1.42 -50.85 5 9 -1 160 425.369 4
Hi High (pH 8-9.5) 3.00 -1.55 -54.04 5 9 -1 160 425.369 4

Activity (Go SEA)

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