UCSF

ZINC42825990

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 18 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) 1.41 -0.23 -9.7 2 5 0 76 271.338 4
Hi High (pH 8-9.5) 1.41 0.53 -44.96 1 5 -1 78 270.33 4

Activity (Go SEA)

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