UCSF

ZINC52215506

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2010 15 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) 1.03 2.73 -9.43 4 4 0 67 205.261 3
Lo Low (pH 4.5-6) 1.03 2.56 -58.2 5 4 1 69 206.269 3

Activity (Go SEA)

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