UCSF

ZINC33761952

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2009 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) 4.50 11.47 -62.56 0 8 -1 101 506.575 12
Mid Mid (pH 6-8) 4.50 10.51 -18.42 1 8 0 98 507.583 12

Activity (Go SEA)

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