UCSF

ZINC06901248

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 32 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) 6.26 16.08 -39.71 2 4 0 62 426.56 8
Hi High (pH 8-9.5) 6.26 14.71 -53.82 1 4 -1 57 425.552 8

Activity (Go SEA)

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