UCSF

ZINC43638540

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 11 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) 1.29 5.75 -32.54 1 3 1 31 160.237 5
Hi High (pH 8-9.5) 1.29 3.25 -4.63 0 3 0 30 159.229 5

Activity (Go SEA)

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