UCSF

ZINC42717582

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 13 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) -0.25 2.23 -58.27 3 5 0 88 188.227 6
Hi High (pH 8-9.5) -0.25 -0.1 -51.97 2 5 -1 86 187.219 6

Activity (Go SEA)

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