UCSF

ZINC36298312

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 19 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) 1.14 2.66 -43.67 2 5 0 78 277.349 5
Lo Low (pH 4.5-6) 1.14 3.11 -65.87 3 5 1 79 278.357 5

Activity (Go SEA)

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