UCSF

ZINC32804086

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 24 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) 3.41 9.61 -35.49 2 4 1 47 327.448 6
Hi High (pH 8-9.5) 3.41 7.49 -10.97 1 4 0 45 326.44 6

Activity (Go SEA)

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