UCSF

ZINC06927936

Substance Information

In ZINC since Heavy atoms Benign functionality
May 3rd, 2006 25 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) 5.20 6.85 -37.23 1 5 -1 77 389.243 2
Mid Mid (pH 6-8) 6.15 5.25 -41.77 1 5 -1 81 389.243 1
Mid Mid (pH 6-8) 5.66 4.9 -97.93 0 5 -2 80 388.235 2
Mid Mid (pH 6-8) 6.15 5.61 -39.6 1 5 -1 81 389.243 1

Activity (Go SEA)

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