UCSF

ZINC39121361

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 14 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) 0.96 -1.36 -12.56 3 4 0 76 188.186 1
Hi High (pH 8-9.5) 0.96 -0.58 -46.23 2 4 -1 79 187.178 1

Activity (Go SEA)

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