UCSF

ZINC32113109

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 3.23 5.73 -46.44 3 3 1 46 264.389 6
Hi High (pH 8-9.5) 3.23 4.36 -5.02 2 3 0 41 263.381 6

Activity (Go SEA)

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