UCSF

ZINC32126140

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) 3.59 6.43 -38.52 3 3 1 46 280.432 8
Hi High (pH 8-9.5) 3.59 5.15 -3.78 2 3 0 41 279.424 8

Activity (Go SEA)

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