UCSF

ZINC06382850

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2006 29 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) 3.85 9.88 -56.39 0 5 -1 74 410.808 5
Mid Mid (pH 6-8) 3.27 2.03 -23.41 0 5 0 67 411.816 5
Lo Low (pH 4.5-6) 3.85 9.13 -14.66 1 5 0 71 411.816 5

Activity (Go SEA)

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