UCSF

ZINC15858170

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2008 18 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) 1.61 8.16 -38.06 1 3 1 30 242.346 6
Lo Low (pH 4.5-6) 1.61 8.45 -97.98 2 3 2 31 243.354 6
Lo Low (pH 4.5-6) 1.61 8.73 -176.07 3 3 3 33 244.362 6

Activity (Go SEA)

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