UCSF

ZINC43479787

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 18 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) 2.87 2.39 -7.28 3 3 0 52 263.724 4
Hi High (pH 8-9.5) 2.87 3.16 -40.75 2 3 -1 55 262.716 4

Activity (Go SEA)

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