UCSF

ZINC35759394

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 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) 0.64 9 -48.68 1 6 0 74 250.302 4
Hi High (pH 8-9.5) 0.64 7.04 -47.88 0 6 -1 72 249.294 4

Activity (Go SEA)

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