UCSF

ZINC20000219

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 31 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) 3.12 7.19 -10.94 2 7 0 119 417.513 5
Lo Low (pH 4.5-6) 3.12 7.02 -53.4 3 7 1 121 418.521 5

Activity (Go SEA)

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