UCSF

ZINC49661995

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2010 13 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) 1.58 4.3 -36.61 2 2 1 20 183.319 2
Hi High (pH 8-9.5) 1.58 4.87 -28.57 2 2 1 16 183.319 2
Hi High (pH 8-9.5) 1.58 2.97 -0.66 1 2 0 15 182.311 2

Activity (Go SEA)

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