UCSF

ZINC32116329

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) 0.66 0.44 -43.97 3 6 1 74 270.305 8
Hi High (pH 8-9.5) 0.66 -0.98 -8.38 2 6 0 69 269.297 8

Activity (Go SEA)

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