UCSF

ZINC06899686

Substance Information

In ZINC since Heavy atoms Benign functionality
May 1st, 2006 30 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) 5.57 15.41 -45.48 2 4 0 62 418.924 7
Mid Mid (pH 6-8) 5.57 14.05 -54.89 1 4 -1 57 417.916 7

Activity (Go SEA)

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