UCSF

ZINC60066480

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 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) 0.33 0.85 -94.67 6 4 2 74 254.374 10
Hi High (pH 8-9.5) 0.33 -0.51 -43.92 5 4 1 69 253.366 10

Activity (Go SEA)

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