UCSF

ZINC37054046

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 21 Yes

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) 3.39 4.12 -9.54 3 4 0 72 328.796 4
Mid Mid (pH 6-8) 3.39 4.62 -37.76 2 4 -1 74 327.788 4

Activity (Go SEA)

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