UCSF

ZINC32003089

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 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) 4.13 5.38 -5.77 1 2 0 29 234.682 2
Hi High (pH 8-9.5) 4.13 6.03 -44.92 0 2 -1 32 233.674 2

Activity (Go SEA)

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