UCSF

ZINC19879746

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 17 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) 0.42 2.54 -8.02 0 5 0 50 240.303 4
Ref Reference (pH 7) 0.42 2.28 -8.7 0 5 0 50 240.303 4
Lo Low (pH 4.5-6) 0.42 4.76 -44.71 1 5 1 51 241.311 4

Activity (Go SEA)

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