UCSF

ZINC34938078

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 14 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) 3.31 5.43 -40.02 0 2 -1 40 230.07 2
Mid Mid (pH 6-8) 2.56 8.12 -14.27 0 2 0 34 231.078 3

Activity (Go SEA)

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