UCSF

ZINC39643923

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 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) 0.78 2.27 -25.05 7 5 1 105 190.23 0
Hi High (pH 8-9.5) 0.78 1.79 -9.42 6 5 0 104 189.222 0

Activity (Go SEA)

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