UCSF

ZINC49692279

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 15 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) -2.19 -5.21 -24.41 1 5 0 75 253.345 1
Lo Low (pH 4.5-6) -2.19 -2.98 -68.38 2 5 1 76 254.353 1

Activity (Go SEA)

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