UCSF

ZINC09046490

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 37 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) 5.13 10.41 -57.27 0 8 -1 101 515.567 8
Mid Mid (pH 6-8) 4.55 10.67 -13.67 0 8 0 95 516.575 8
Mid Mid (pH 6-8) 5.13 10.27 -16.29 1 8 0 98 516.575 8

Activity (Go SEA)

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