UCSF

ZINC01745858

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 15 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) 2.69 5.72 -7.63 2 3 0 52 217.297 3
Lo Low (pH 4.5-6) 2.69 6 -32.76 3 3 1 53 218.305 3
Lo Low (pH 4.5-6) 2.69 2.39 -30.47 3 3 1 53 218.305 3

Activity (Go SEA)

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