UCSF

ZINC04954564

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2006 28 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) 3.71 10.79 -53.25 0 5 -1 74 392.818 5
Mid Mid (pH 6-8) 4.16 -0.2 -28.35 1 5 0 70 393.826 4
Mid Mid (pH 6-8) 3.13 0.07 -22.12 0 5 0 67 393.826 5

Activity (Go SEA)

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