UCSF

ZINC09178171

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 35 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) 2.54 7.34 -57.85 0 10 -1 128 480.497 9
Mid Mid (pH 6-8) 2.99 0.1 -50.85 2 10 1 126 482.513 8
Mid Mid (pH 6-8) 1.96 -0.33 -54.82 1 10 1 123 482.513 9
Mid Mid (pH 6-8) 2.54 9.67 -72.82 1 10 0 129 481.505 9

Activity (Go SEA)

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