UCSF

ZINC15016570

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2008 21 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) 5.57 8.67 -6.86 1 3 0 45 334.853 2
Hi High (pH 8-9.5) 6.03 6.79 -43.09 0 3 -1 48 333.845 2
Hi High (pH 8-9.5) 6.03 6.32 -44.63 0 3 -1 48 333.845 2

Activity (Go SEA)

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