UCSF

ZINC32905026

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 29 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) 5.91 9.85 -26.91 2 6 0 84 408.527 7
Hi High (pH 8-9.5) 4.87 8.85 -52.74 1 6 -1 90 407.519 7

Activity (Go SEA)

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