UCSF

ZINC59138817

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 13 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) 1.15 4.32 -49.89 1 4 -1 69 186.231 7
Lo Low (pH 4.5-6) 1.15 2.35 -13.34 2 4 0 66 187.239 7

Activity (Go SEA)

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