UCSF

ZINC43428367

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 1.50 1.14 -9.54 1 5 0 67 283.349 2
Hi High (pH 8-9.5) 1.50 1.91 -43.35 0 5 -1 70 282.341 2

Activity (Go SEA)

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