UCSF

ZINC36238217

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 3.05 11.14 -69.08 1 4 0 57 330.453 6
Hi High (pH 8-9.5) 3.05 8.92 -48.21 0 4 -1 56 329.445 6

Activity (Go SEA)

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