UCSF

ZINC44727194

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) -0.92 -0.9 -38.55 3 6 1 73 247.315 8
Hi High (pH 8-9.5) -0.92 -2.29 -9.33 2 6 0 69 246.307 8

Activity (Go SEA)

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