UCSF

ZINC01707112

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 18 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) 4.37 0.83 -7.69 0 1 0 12 229.282 0
Lo Low (pH 4.5-6) 4.37 0.93 -37.28 1 1 1 14 230.29 0

Activity (Go SEA)

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