UCSF

ZINC22650999

Substance Information

In ZINC since Heavy atoms Benign functionality
December 18th, 2008 32 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) 2.33 13.4 -44.07 1 9 1 80 446.62 11
Hi High (pH 8-9.5) 2.33 11.34 -12.11 0 9 0 79 445.612 11
Lo Low (pH 4.5-6) 2.33 15.77 -124.72 2 9 2 82 447.628 11

Activity (Go SEA)

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