UCSF

ZINC41216960

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 14 No

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) 2.89 7.31 -40.04 2 1 1 17 208.35 1
Hi High (pH 8-9.5) 2.89 6.13 -2.92 1 1 0 12 207.342 1

Activity (Go SEA)

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