UCSF

ZINC05976768

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 31 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) 5.07 12.36 -16.23 1 5 0 66 417.553 5
Hi High (pH 8-9.5) 5.52 11.25 -51.57 0 5 -1 69 416.545 5

Activity (Go SEA)

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