UCSF

ZINC04884487

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 31 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) 3.45 9.39 -60.94 0 7 -1 96 420.441 8
Mid Mid (pH 6-8) 3.45 8.64 -13.97 1 7 0 93 421.449 8

Activity (Go SEA)

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