UCSF

ZINC09675238

Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2007 33 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) 2.23 5.48 -16.83 1 10 0 121 457.393 7
Hi High (pH 8-9.5) 3.14 5.06 -126.5 1 10 -2 137 455.377 7
Mid Mid (pH 6-8) 2.23 4.39 -70 2 10 1 122 458.401 7
Mid Mid (pH 6-8) 3.14 3.54 -22.54 3 10 0 132 457.393 7

Activity (Go SEA)

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