UCSF

ZINC04815965

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 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) 2.02 6.28 -45.54 1 5 -1 81 336.367 6
Mid Mid (pH 6-8) 2.46 -2.78 -28.78 2 5 0 77 337.375 5
Mid Mid (pH 6-8) 1.43 -2.55 -19.67 1 5 0 74 337.375 6

Activity (Go SEA)

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