UCSF

ZINC49070768

Substance Information

In ZINC since Heavy atoms Benign functionality
September 23rd, 2010 25 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) 2.60 9.71 -144.51 0 7 -2 107 358.737 6
Lo Low (pH 4.5-6) 2.60 7.61 -58.76 1 7 -1 104 359.745 6

Activity (Go SEA)

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