UCSF

ZINC09263983

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 27 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) 1.50 5.93 -23.7 2 8 0 101 424.939 6
Mid Mid (pH 6-8) 1.50 7.06 -43.22 3 8 1 103 425.947 6
Mid Mid (pH 6-8) 1.68 3.81 -22.69 2 8 0 105 424.939 6
Mid Mid (pH 6-8) 1.50 6.22 -23.27 2 8 0 101 424.939 6

Activity (Go SEA)

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