UCSF

ZINC60703869

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 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) 3.35 7.63 -38.14 2 1 1 17 212.744 5
Hi High (pH 8-9.5) 3.35 6.67 -2.08 1 1 0 12 211.736 5

Activity (Go SEA)

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