UCSF

ZINC39237143

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2010 17 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) -1.80 2.25 -41.85 4 6 0 106 238.243 6
Hi High (pH 8-9.5) -1.80 1.89 -45.35 3 6 -1 104 237.235 6

Activity (Go SEA)

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