UCSF

ZINC35689975

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) 2.28 6.79 -10.08 1 3 0 42 274.751 4
Lo Low (pH 4.5-6) 2.28 7.24 -43.28 2 3 1 43 275.759 4

Activity (Go SEA)

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