UCSF

ZINC06813269

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 28 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) 1.78 7.36 -58.45 0 9 -1 129 385.352 7
Mid Mid (pH 6-8) 2.22 0.01 -15.09 1 9 0 125 386.36 6

Activity (Go SEA)

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