UCSF

ZINC06813943

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 22 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) 2.94 5.6 -54.48 1 4 -1 69 357.183 3
Mid Mid (pH 6-8) 3.39 -2.45 -17.09 2 4 0 66 358.191 2
Mid Mid (pH 6-8) 2.36 -2.97 -9.28 1 4 0 63 358.191 3

Activity (Go SEA)

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