UCSF

ZINC32244024

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 28 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) 2.65 4.86 -48.32 3 7 1 89 414.592 11
Hi High (pH 8-9.5) 2.65 2.78 -14.9 2 7 0 88 413.584 11

Activity (Go SEA)

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