UCSF

ZINC52345959

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 16 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) 2.70 6.42 -38.09 2 2 1 20 221.368 6
Hi High (pH 8-9.5) 2.70 7.02 -34.95 2 2 1 16 221.368 6

Activity (Go SEA)

Rings

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