UCSF

ZINC34939394

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 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) 0.49 0.76 -44.99 3 3 1 54 197.645 1
Hi High (pH 8-9.5) 0.49 0.43 -4.73 2 3 0 52 196.637 1

Activity (Go SEA)

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