UCSF

ZINC60239459

Substance Information

In ZINC since Heavy atoms Benign functionality
March 17th, 2011 15 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) 3.44 6.97 -39.78 2 2 1 16 248.177 4
Hi High (pH 8-9.5) 3.44 4.75 -2.61 1 2 0 15 247.169 4

Activity (Go SEA)

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