UCSF

ZINC35179823

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) 0.42 3.2 -38.95 4 7 1 95 270.357 8
Hi High (pH 8-9.5) 0.88 1.54 -53.36 3 7 0 98 269.349 8

Activity (Go SEA)

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