UCSF

ZINC28890809

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2009 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) -0.96 -0.29 -107.49 8 5 2 100 248.33 5
Hi High (pH 8-9.5) -0.96 -0.6 -58.14 7 5 1 99 247.322 5

Activity (Go SEA)

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