UCSF

ZINC11612413

Substance Information

In ZINC since Heavy atoms Benign functionality
February 29th, 2008 28 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) 5.63 13.36 -50.75 1 4 1 38 455.401 5
Hi High (pH 8-9.5) 5.63 10.95 -7.94 0 4 0 36 454.393 5

Activity (Go SEA)

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