UCSF

ZINC09244180

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 25 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) 2.72 5.64 -50.86 1 7 -1 115 357.729 4
Mid Mid (pH 6-8) 3.17 -1.42 -20.54 2 7 0 112 358.737 3
Mid Mid (pH 6-8) 2.14 -2.2 -12.71 1 7 0 109 358.737 4

Activity (Go SEA)

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