UCSF

ZINC41671689

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 13 No

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) -1.43 5.8 -35.78 1 4 0 62 185.223 3
Hi High (pH 8-9.5) -1.43 3.58 -44.99 0 4 -1 60 184.215 3

Activity (Go SEA)

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