UCSF

ZINC06143662

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2006 32 No

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) 5.29 10.79 -39.19 0 6 -1 91 442.882 6
Mid Mid (pH 6-8) 5.29 0.04 -17.36 1 6 0 88 443.89 6

Activity (Go SEA)

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