UCSF

ZINC59469649

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 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) 2.76 8.93 -133.19 0 4 -2 80 212.245 7
Lo Low (pH 4.5-6) 2.76 6.79 -49.4 1 4 -1 77 213.253 7
Lo Low (pH 4.5-6) 2.76 6.94 -55.68 1 4 -1 77 213.253 7

Activity (Go SEA)

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