UCSF

ZINC32122099

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 4.23 9.16 -45.93 2 2 1 26 276.787 6
Hi High (pH 8-9.5) 4.23 7.75 -3.75 1 2 0 21 275.779 6

Activity (Go SEA)

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