UCSF

ZINC32111394

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) 1.72 6.64 -95.33 4 3 2 41 262.397 5
Hi High (pH 8-9.5) 1.72 5.22 -36.46 3 3 1 37 261.389 5

Activity (Go SEA)

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