UCSF

ZINC60220694

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 20 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) 1.37 6.1 -54.8 1 9 1 107 316.392 7
Hi High (pH 8-9.5) 1.37 3.63 -13.19 0 9 0 106 315.384 7

Activity (Go SEA)

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