UCSF

ZINC32668129

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2009 16 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) 1.75 7.68 -35.47 1 3 1 25 225.356 2
Hi High (pH 8-9.5) 1.75 5.48 -7.25 0 3 0 24 224.348 2

Activity (Go SEA)

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