UCSF

ZINC09234438

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 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) 5.37 19.26 -15.23 1 9 0 92 448.575 6
Mid Mid (pH 6-8) 5.37 19.6 -31.27 2 9 1 93 449.583 6

Activity (Go SEA)

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