UCSF

ZINC01736161

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 14 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) 1.60 4.89 -7.5 2 3 0 52 185.23 1
Lo Low (pH 4.5-6) 1.60 5.13 -26.67 3 3 1 53 186.238 1
Lo Low (pH 4.5-6) 1.60 1.61 -29.27 3 3 1 53 186.238 1

Activity (Go SEA)

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