UCSF

ZINC09861068

Substance Information

In ZINC since Heavy atoms Benign functionality
September 13th, 2007 32 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) 4.35 12.03 -44 0 5 -1 70 430.455 7
Mid Mid (pH 6-8) 3.77 11.67 -18.3 0 5 0 64 431.463 7
Mid Mid (pH 6-8) 4.80 10.7 -24.58 1 5 0 67 431.463 6

Activity (Go SEA)

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