UCSF

ZINC22699268

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 34 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) 4.90 9.3 -31.51 2 8 0 102 490.566 6
Hi High (pH 8-9.5) 4.97 8.4 -54.38 1 8 -1 109 489.558 6

Activity (Go SEA)

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