UCSF

ZINC20842106

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 29 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) 1.62 4.9 -106.8 0 9 -2 134 394.339 6
Lo Low (pH 4.5-6) 1.16 6.44 -56.64 1 9 -1 131 395.347 6

Activity (Go SEA)

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