UCSF

ZINC09176529

Substance Information

In ZINC since Heavy atoms Benign functionality
August 12th, 2007 38 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) 4.37 14.79 -69.5 1 9 0 120 515.566 10
Hi High (pH 8-9.5) 4.37 12.26 -51.9 0 9 -1 119 514.558 10
Mid Mid (pH 6-8) 3.79 2.24 -57.63 1 9 1 113 516.574 10
Mid Mid (pH 6-8) 4.37 14.41 -54.64 2 9 1 117 516.574 10

Activity (Go SEA)

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