UCSF

ZINC06359257

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2006 25 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) 5.08 9.86 -12.31 1 5 0 60 355.463 8
Hi High (pH 8-9.5) 5.08 9.69 -45.38 0 5 -1 58 354.455 8

Activity (Go SEA)

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