UCSF

ZINC39060230

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 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) 0.83 -0.28 -41.19 4 2 1 48 160.143 1
Hi High (pH 8-9.5) 0.83 0.48 -55.02 3 2 0 51 159.135 1
Hi High (pH 8-9.5) 0.83 -0.69 -4.13 3 2 0 46 159.135 1

Activity (Go SEA)

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