UCSF

ZINC04172736

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 28 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) 6.03 1.9 -12.62 1 5 0 47 379.504 5
Mid Mid (pH 6-8) 6.03 2.08 -28.32 2 5 1 49 380.512 5

Activity (Go SEA)

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