UCSF

ZINC32112481

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) 2.46 5.37 -44.57 3 4 1 55 263.361 4
Hi High (pH 8-9.5) 2.46 4.14 -13.33 2 4 0 50 262.353 4

Activity (Go SEA)

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