UCSF

ZINC41680152

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 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) -0.21 1.26 -93.55 5 5 2 70 245.367 6
Hi High (pH 8-9.5) -0.02 -1.02 -47.2 4 5 1 77 244.359 6

Activity (Go SEA)

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