UCSF

ZINC36805364

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2009 16 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) 1.83 3.51 -6.07 0 3 0 25 260.79 4
Mid Mid (pH 6-8) 1.83 5.79 -40.94 1 3 1 27 261.798 4

Activity (Go SEA)

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