UCSF

ZINC11612415

Substance Information

In ZINC since Heavy atoms Benign functionality
February 29th, 2008 29 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) 5.73 14.26 -49.83 1 4 1 38 404.559 6
Hi High (pH 8-9.5) 5.73 11.8 -9.87 0 4 0 36 403.551 6

Activity (Go SEA)

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