UCSF

ZINC32119938

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 1.93 6.98 -46.34 2 4 1 48 273.356 8
Hi High (pH 8-9.5) 1.93 5.55 -8.08 1 4 0 43 272.348 8

Activity (Go SEA)

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