UCSF

ZINC04172486

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 23 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) 4.91 9.78 -10.66 1 4 0 39 374.282 4
Mid Mid (pH 6-8) 4.91 10.27 -22.13 2 4 1 40 375.29 4

Activity (Go SEA)

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