UCSF

ZINC06899745

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) 5.55 15.08 -36.46 2 4 0 62 418.924 8
Mid Mid (pH 6-8) 5.55 13.71 -52.12 1 4 -1 57 417.916 8

Activity (Go SEA)

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